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#\#CIF_1.0 ################################################################################ # # # This CIF is a part of the B-IncStrDB # # (Bilbao Incommensurate Structures Database) # # http://www.cryst.ehu.eus/bincstrdb/ # # # # Please note that the structure of the CIF file may differ from the one # # deposited, as it may have been modified to comply with the standard. The # # file has been validated against official dictionaries as well as local # # dictionaries including non-standard data names used by SHELXL (Sheldrick, # # G. M. (2008). Acta Cryst. A 64, 112-122) and JANA (Petricek, V., Dusek, M. # # and Palatinus, L. (2014), Z. Kristallogr. 229, 345-352). # # # # For comments and/or criticisms, please e-mail to administrador-bcs@ehu.es # # # ################################################################################ data_I _audit_creation_method 'Jana2006 Version : 15/03/2013' _journal_date_recd_electronic 2013-05-17 _journal_date_from_coeditor 2013-11-08 _journal_date_accepted 2013-11-08 _journal_date_printers_first 2013-11-26 _journal_date_proofs_out 2013-12-16 _journal_date_proofs_in 2013-12-20 _journal_coeditor_code BP5054 _journal_paper_doi https://doi.org/10.1107/S2052520613030709 _journal_techeditor_code B133070 _iucr_compatibility_tag ACTA95 _journal_paper_category FA _journal_coden_ASTM ASBSDK _journal_coden_Cambridge 1743 _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2014 _journal_volume 70 _journal_issue 02 _journal_page_first 212 _journal_page_last 217 _audit_update_record ; 2013-04-15 # Formatted by publCIF 2013-12-16 # Formatted by IUCr publCIF ; _publ_contact_author_name 'Pavlyuk, Volodymyr' _publ_contact_author_address ;Department of Inorganic Chemistry Ivan Franko Lviv National University Kyryla and Mefodiya str. 6 79005 Lviv Ukraine Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University al. Armii Krajowej 13/15 42-200 Czestochowa Poland ; _publ_contact_author_email vpavlyuk2002@yahoo.com _publ_contact_author_fax 000 _publ_contact_author_phone 000 _publ_requested_journal 'Acta Crystallographica Section B' _publ_requested_category FI _publ_contact_letter ; Please consider this CIF for publication. I certify that this contibution is the original work of those listed as authors; that it has not been published before (in any language or medium) and is not being considered for publication elsewhere; that all authors concur with and are aware of the submission; that all workers involved in the study are listed as authors or given proper credit in the acknowledgements; that I have obtained permission for and acknowledged the source of any excerpts from other copyright works; and that to the best of my knowledge the paper contains no statements which are libellous, unlawful or in any way actionable. All coauthors have made significant scientific contributions to the work reported, including the ideas and their execution, and share responsibility and accountability for the results. ; _publ_section_title ;LiZn~4-x~ (x= 0.825) as a (3 + 1)-dimensional modulated derivative of hexagonal close packing ; loop_ _publ_author_name _publ_author_address _publ_author_footnote 'Pavlyuk, Volodymyr' ;Department of Inorganic Chemistry Ivan Franko Lviv National University Kyryla and Mefodiya str. 6 79005 Lviv Ukraine ; ;Also at Institute of Chemistry, Environment Protection and Biotechnology, Jan Dlugosz University, al. Armii Krajowej 13/15, 42-200 Czestochowa, Poland ; 'Chumak, Ihor' ;Karlsruhe Institute of Technology (KIT) Institute for Applied Materials (IAM) Hermann-von-Helmholtz-Platz 1 D-76344 Eggenstein-Leopoldshafen Germany ; ? 'Akselrud, Lev' ;Department of Inorganic Chemistry Ivan Franko Lviv National University Kyryla and Mefodiya str. 6 79005 Lviv Ukraine ; ? 'Lidin, Sven' ;Division of Polymer & Materials Chemistry Lund University Box 124 SE-221 00 Lund Sweden ; ? 'Ehrenberg, Helmut' ;Karlsruhe Institute of Technology (KIT) Institute for Applied Materials (IAM) Hermann-von-Helmholtz-Platz 1 D-76344 Eggenstein-Leopoldshafen Germany ; ? _database_code_depnum_ccdc_archive 'CCDC 971019' _chemical_formula_sum 'Li Zn3.175' _chemical_formula_weight 214.2 _chemical_absolute_configuration ? _space_group_crystal_system orthorhombic _space_group_ssg_name Cmcm(\a00)0s0 loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3+1/2,-x4 3 -x1,x2,-x3+1/2,-x4+1/2 4 x1,-x2,-x3,x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3+1/2,x4 7 x1,-x2,x3+1/2,x4+1/2 8 -x1,x2,x3,-x4+1/2 9 x1+1/2,x2+1/2,x3,x4 10 -x1+1/2,-x2+1/2,x3+1/2,-x4 11 -x1+1/2,x2+1/2,-x3+1/2,-x4+1/2 12 x1+1/2,-x2+1/2,-x3,x4+1/2 13 -x1+1/2,-x2+1/2,-x3,-x4 14 x1+1/2,x2+1/2,-x3+1/2,x4 15 x1+1/2,-x2+1/2,x3+1/2,x4+1/2 16 -x1+1/2,x2+1/2,x3,-x4+1/2 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,1/2+z 3 x,-y,-z 4 -x,y,1/2-z 5 -x,-y,-z 6 x,y,1/2-z 7 -x,y,z 8 x,-y,1/2+z 9 1/2+x,1/2+y,z 10 1/2-x,1/2-y,1/2+z 11 1/2+x,1/2-y,-z 12 1/2-x,1/2+y,1/2-z 13 1/2-x,1/2-y,-z 14 1/2+x,1/2+y,1/2-z 15 1/2-x,1/2+y,z 16 1/2+x,1/2-y,1/2+z _space_group_name_H-M_alt 'C m c m' _space_group_name_Hall '-C 2c 2' _cell_length_a 2.7679 _cell_length_b 4.7942 _cell_length_c 4.3864 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 58.207 loop_ _twin_individual_id _twin_individual_mass_fraction_refined _twin_individual_twin_matrix_11 _twin_individual_twin_matrix_12 _twin_individual_twin_matrix_13 _twin_individual_twin_matrix_21 _twin_individual_twin_matrix_22 _twin_individual_twin_matrix_23 _twin_individual_twin_matrix_31 _twin_individual_twin_matrix_32 _twin_individual_twin_matrix_33 1 0.333334 1 0 0 0 1 0 0 0 1 2 0.333333 -0.5 -1.5 0 0.5 -0.5 0 0 0 1 3 0.333333 -0.5 1.5 0 -0.5 -0.5 0 0 0 1 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.571429 0.000000 0.000000 _cell_formula_units_Z 1 _cell_measurement_reflns_used 10263 _cell_measurement_theta_min 1.21 _cell_measurement_theta_max 30.19 _cell_measurement_temperature 293 _exptl_crystal_type_of_structure mod _exptl_crystal_F_000 94 _exptl_absorpt_coefficient_mu 32.129 _exptl_crystal_description prismatic _exptl_crystal_size_max 0.07 _exptl_crystal_size_mid 0.03 _exptl_crystal_size_min 0.02 _exptl_crystal_colour 'metallic dark grey' _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details '(SADABS; Bruker, 2004)' _exptl_absorpt_correction_T_min 0.365 _exptl_absorpt_correction_T_max 0.560 _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_reflns_number 1715 _diffrn_reflns_theta_min 4.38 _diffrn_reflns_theta_max 30.18 _diffrn_reflns_theta_full 30.18 _diffrn_measured_fraction_theta_max 1 _diffrn_measured_fraction_theta_full 1 _diffrn_reflns_av_R_equivalents 0.197 _diffrn_reflns_av_unetI/netI 0.0423 _diffrn_reflns_limit_h_min -5 _diffrn_reflns_limit_h_max 5 _diffrn_reflns_limit_k_min -3 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_l_max 6 _diffrn_reflns_limit_index_m_1_min -3 _diffrn_reflns_limit_index_m_1_max 3 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe x-ray _reflns_number_total 378 _reflns_number_gt 329 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0623 _refine_ls_wR_factor_gt 0.0875 _refine_ls_R_factor_all 0.0693 _refine_ls_wR_factor_ref 0.0880 _refine_ls_goodness_of_fit_ref 3.70 _refine_ls_goodness_of_fit_gt 3.96 _refine_ls_number_reflns 378 _refine_ls_number_parameters 12 _refine_ls_number_constraints 19 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.0001F^2^) _refine_ls_shift/su_max 0.0393 _refine_ls_shift/su_mean 0.0168 _refine_diff_density_max 3.25 _refine_diff_density_min -3.39 _refine_ls_extinction_method none loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Li -0.0003 0.0001 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Zn 0.2839 1.4301 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group Zn1 Zn 0.5 0.3365(7) 0.25 Uani 0.0083(5) 4 0.7605(14) d ? ? ? Li1 Li 0.5 0.3365(7) 0.25 Uani 0.0083(5) 4 0.2395(14) d ? ? ? loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Zn1 Zn 0.0076(8) 0.0098(8) 0.0076(7) 0 0 0 Li1 Li 0.0076(8) 0.0098(8) 0.0076(7) 0 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _jana_atom_site_Fourier_wave_vector_q1_coeff 1 1 2 2 3 3 loop_ _atom_site_occ_special_func_atom_site_label _atom_site_occ_special_func_crenel_c _atom_site_occ_special_func_crenel_w Zn1 0.25 0.7605(14) Li1 0.75 0.2395(14) loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Zn1x1 Zn1 x 1 Zn1y1 Zn1 y 1 Zn1z1 Zn1 z 1 Zn1x2 Zn1 x 2 Zn1y2 Zn1 y 2 Zn1z2 Zn1 z 2 Zn1x3 Zn1 x 3 Zn1y3 Zn1 y 3 Zn1z3 Zn1 z 3 Li1x1 Li1 x 1 Li1y1 Li1 y 1 Li1z1 Li1 z 1 Li1x2 Li1 x 2 Li1y2 Li1 y 2 Li1z2 Li1 z 2 Li1x3 Li1 x 3 Li1y3 Li1 y 3 Li1z3 Li1 z 3 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Zn1x1 0.0036(4) 0 Zn1y1 0 -0.0145(13) Zn1z1 0 0 Zn1x2 0 0.0039(6) Zn1y2 -0.0094(10) 0 Zn1z2 0 0 Zn1x3 -0.0021(6) 0 Zn1y3 0 0.0146(7) Zn1z3 0 0 Li1x1 0.0036(4) 0 Li1y1 0 -0.0145(13) Li1z1 0 0 Li1x2 0 0.0039(6) Li1y2 -0.0094(10) 0 Li1z2 0 0 Li1x3 -0.0021(6) 0 Li1y3 0 0.0146(7) Li1z3 0 0 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_ssg_symmetry_1 _geom_bond_site_ssg_symmetry_2 _geom_bond_distance_av _geom_bond_distance_min _geom_bond_distance_max _geom_bond_publ_flag Zn1 Zn1 ? 1_4555 2.779(4) 2.755(4) 2.790(4) ? Zn1 Zn1 ? 1_6555 2.779(4) 2.754(4) 2.790(4) ? Zn1 Zn1 ? 9_4455 2.762(10) 2.711(8) 2.811(8) ? Zn1 Zn1 ? 9_4555 2.765(10) 2.721(9) 2.825(8) ? Zn1 Zn1 ? 9_5455 2.763(10) 2.714(8) 2.814(8) ? Zn1 Zn1 ? 9_5555 2.764(10) 2.721(8) 2.821(8) ? Zn1 Zn1 ? 2_6645 2.729(5) 2.696(5) 2.749(5) ? Zn1 Zn1 ? 2_6655 2.729(5) 2.696(5) 2.749(5) ? Zn1 Zn1 ? 10_5545 2.703(4) 2.679(3) 2.737(3) ? Zn1 Zn1 ? 10_5555 2.703(4) 2.679(3) 2.737(3) ? Zn1 Zn1 ? 10_6545 2.703(4) 2.679(3) 2.737(3) ? Zn1 Zn1 ? 10_6555 2.703(4) 2.679(3) 2.737(3) ? Zn1 Li1 ? 1_4555 2.762(3) 2.748(4) 2.782(4) ? Zn1 Li1 ? 1_6555 2.763(3) 2.748(4) 2.783(4) ? Zn1 Li1 ? 9_4455 2.647(10) 2.592(12) 2.740(7) ? Zn1 Li1 ? 9_4555 2.901(11) 2.818(7) 2.954(13) ? Zn1 Li1 ? 9_5455 2.651(10) 2.592(12) 2.747(7) ? Zn1 Li1 ? 9_5555 2.897(10) 2.810(7) 2.954(13) ? Zn1 Li1 ? 2_6645 2.661(8) 2.645(12) 2.690(5) ? Zn1 Li1 ? 2_6655 2.661(8) 2.645(12) 2.690(5) ? Zn1 Li1 ? 10_5545 2.750(4) 2.727(3) 2.761(5) ? Zn1 Li1 ? 10_5555 2.750(4) 2.727(3) 2.761(5) ? Zn1 Li1 ? 10_6545 2.750(4) 2.726(3) 2.761(6) ? Zn1 Li1 ? 10_6555 2.750(4) 2.726(3) 2.761(6) ? Li1 Li1 ? 10_5545 2.744(4) 2.744(4) 2.744(4) ? Li1 Li1 ? 10_5555 2.744(4) 2.744(4) 2.744(4) ? Li1 Li1 ? 10_6545 2.744(4) 2.744(4) 2.744(4) ? Li1 Li1 ? 10_6555 2.744(4) 2.744(4) 2.744(4) ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_ssg_symmetry_1 _geom_angle_site_ssg_symmetry_2 _geom_angle_site_ssg_symmetry_3 _geom_angle_av _geom_angle_min _geom_angle_max _geom_angle_publ_flag Zn1 Zn1 Zn1 1_4555 ? 1_6555 179.1(4) 178.3(4) 180.0(5) ? Zn1 Zn1 Zn1 1_4555 ? 9_4455 60.11(19) 58.6(2) 60.94(18) ? Zn1 Zn1 Zn1 1_4555 ? 9_4555 59.85(19) 58.53(19) 60.8(2) ? Zn1 Zn1 Zn1 1_4555 ? 9_5455 119.7(3) 117.6(3) 121.4(3) ? Zn1 Zn1 Zn1 1_4555 ? 9_5555 119.8(3) 117.9(3) 122.0(3) ? Zn1 Zn1 Zn1 1_4555 ? 2_6645 89.93(13) 88.82(13) 90.52(12) ? Zn1 Zn1 Zn1 1_4555 ? 2_6655 89.93(13) 88.82(13) 90.52(12) ? Zn1 Zn1 Zn1 1_4555 ? 10_5545 59.01(8) 58.05(8) 59.94(8) ? Zn1 Zn1 Zn1 1_4555 ? 10_5555 59.01(8) 58.05(8) 59.94(8) ? Zn1 Zn1 Zn1 1_4555 ? 10_6545 120.48(10) 119.63(11) 121.22(10) ? Zn1 Zn1 Zn1 1_4555 ? 10_6555 120.48(10) 119.63(11) 121.22(10) ? Zn1 Zn1 Li1 1_4555 ? 1_6555 177.5(4) 173.5(5) 180.0(5) ? Zn1 Zn1 Li1 1_4555 ? 9_4455 58.21(19) 56.85(19) 59.99(18) ? Zn1 Zn1 Li1 1_4555 ? 9_4555 61.27(18) 59.92(17) 62.43(18) ? Zn1 Zn1 Li1 1_4555 ? 9_5455 121.9(3) 121.4(3) 122.2(3) ? Zn1 Zn1 Li1 1_4555 ? 9_5555 118.5(3) 118.3(3) 118.6(3) ? Zn1 Zn1 Li1 1_4555 ? 2_6645 89.62(13) 88.89(15) 90.25(13) ? Zn1 Zn1 Li1 1_4555 ? 2_6655 89.62(13) 88.89(15) 90.25(13) ? Zn1 Zn1 Li1 1_4555 ? 10_5545 59.89(9) 59.74(9) 60.00(8) ? Zn1 Zn1 Li1 1_4555 ? 10_5555 59.89(9) 59.74(9) 60.00(8) ? Zn1 Zn1 Li1 1_4555 ? 10_6545 120.26(11) 119.66(11) 120.71(11) ? Zn1 Zn1 Li1 1_4555 ? 10_6555 120.26(11) 119.66(11) 120.71(11) ? Zn1 Zn1 Zn1 1_6555 ? 9_4455 119.7(3) 117.6(3) 121.4(3) ? Zn1 Zn1 Zn1 1_6555 ? 9_4555 119.8(3) 117.9(3) 122.1(3) ? Zn1 Zn1 Zn1 1_6555 ? 9_5455 60.15(19) 59.07(19) 60.98(18) ? Zn1 Zn1 Zn1 1_6555 ? 9_5555 59.84(19) 58.61(19) 60.9(2) ? Zn1 Zn1 Zn1 1_6555 ? 2_6645 89.93(13) 88.82(13) 90.52(12) ? Zn1 Zn1 Zn1 1_6555 ? 2_6655 89.93(13) 88.82(13) 90.52(12) ? Zn1 Zn1 Zn1 1_6555 ? 10_5545 120.48(10) 119.63(11) 121.24(10) ? Zn1 Zn1 Zn1 1_6555 ? 10_5555 120.48(10) 119.63(11) 121.24(10) ? Zn1 Zn1 Zn1 1_6555 ? 10_6545 59.01(8) 58.05(8) 59.94(8) ? Zn1 Zn1 Zn1 1_6555 ? 10_6555 59.01(8) 58.05(8) 59.94(8) ? Zn1 Zn1 Li1 1_6555 ? 1_4555 177.6(4) 173.6(5) 179.9(4) ? Zn1 Zn1 Li1 1_6555 ? 9_4455 121.9(3) 121.4(3) 122.2(3) ? Zn1 Zn1 Li1 1_6555 ? 9_4555 118.5(3) 118.3(3) 118.6(3) ? Zn1 Zn1 Li1 1_6555 ? 9_5455 58.23(19) 56.85(18) 59.99(18) ? Zn1 Zn1 Li1 1_6555 ? 9_5555 61.24(18) 59.93(17) 62.43(18) ? Zn1 Zn1 Li1 1_6555 ? 2_6645 89.65(13) 88.92(14) 90.27(13) ? Zn1 Zn1 Li1 1_6555 ? 2_6655 89.65(13) 88.92(14) 90.27(13) ? Zn1 Zn1 Li1 1_6555 ? 10_5545 120.26(11) 119.66(12) 120.71(11) ? Zn1 Zn1 Li1 1_6555 ? 10_5555 120.26(11) 119.66(12) 120.71(11) ? Zn1 Zn1 Li1 1_6555 ? 10_6545 59.89(9) 59.76(9) 60.00(8) ? Zn1 Zn1 Li1 1_6555 ? 10_6555 59.89(9) 59.76(9) 60.00(8) ? Zn1 Zn1 Zn1 9_4455 ? 9_4555 120.33(17) 119.24(18) 121.50(16) ? Zn1 Zn1 Zn1 9_4455 ? 9_5455 60.4(2) 59.48(18) 60.8(2) ? Zn1 Zn1 Zn1 9_4455 ? 9_5555 179.4(3) 178.3(2) 180.0(5) ? Zn1 Zn1 Zn1 9_4455 ? 2_6645 121.17(16) 120.16(17) 121.84(16) ? Zn1 Zn1 Zn1 9_4455 ? 2_6655 121.17(16) 120.16(17) 121.84(16) ? Zn1 Zn1 Zn1 9_4455 ? 10_5545 60.0(2) 58.8(2) 61.1(2) ? Zn1 Zn1 Zn1 9_4455 ? 10_5555 60.0(2) 58.8(2) 61.1(2) ? Zn1 Zn1 Zn1 9_4455 ? 10_6545 90.9(3) 89.0(2) 91.9(3) ? Zn1 Zn1 Zn1 9_4455 ? 10_6555 90.9(3) 89.0(2) 91.9(3) ? Zn1 Zn1 Li1 9_4455 ? 1_4555 63.6(2) 61.2(2) 65.1(2) ? Zn1 Zn1 Li1 9_4455 ? 1_6555 124.4(4) 121.9(4) 125.6(4) ? Zn1 Zn1 Li1 9_4455 ? 9_5455 61.2(2) 60.43(19) 61.8(2) ? Zn1 Zn1 Li1 9_4455 ? 9_5555 179.2(2) 178.6(2) 180.0(5) ? Zn1 Zn1 Li1 9_4455 ? 2_6645 119.30(19) 118.8(2) 120.54(17) ? Zn1 Zn1 Li1 9_4455 ? 2_6655 119.30(19) 118.8(2) 120.54(17) ? Zn1 Zn1 Li1 9_4455 ? 10_5545 57.4(2) 56.9(2) 58.5(2) ? Zn1 Zn1 Li1 9_4455 ? 10_5555 57.4(2) 56.9(2) 58.5(2) ? Zn1 Zn1 Li1 9_4455 ? 10_6545 88.1(2) 87.9(2) 88.3(2) ? Zn1 Zn1 Li1 9_4455 ? 10_6555 88.1(2) 87.9(2) 88.3(2) ? Zn1 Zn1 Zn1 9_4555 ? 9_5455 179.4(3) 178.4(2) 180.0(5) ? Zn1 Zn1 Zn1 9_4555 ? 9_5555 59.7(2) 59.06(18) 61.26(19) ? Zn1 Zn1 Zn1 9_4555 ? 2_6645 59.17(18) 58.65(18) 60.28(18) ? Zn1 Zn1 Zn1 9_4555 ? 2_6655 59.17(18) 58.65(18) 60.28(18) ? Zn1 Zn1 Zn1 9_4555 ? 10_5545 89.5(2) 88.6(3) 91.5(2) ? Zn1 Zn1 Zn1 9_4555 ? 10_5555 89.5(2) 88.6(3) 91.5(2) ? Zn1 Zn1 Zn1 9_4555 ? 10_6545 119.7(3) 118.9(3) 121.6(2) ? Zn1 Zn1 Zn1 9_4555 ? 10_6555 119.7(3) 118.9(3) 121.6(2) ? Zn1 Zn1 Li1 9_4555 ? 1_4555 57.2(2) 55.6(3) 60.1(2) ? Zn1 Zn1 Li1 9_4555 ? 1_6555 115.8(4) 115.0(4) 117.4(4) ? Zn1 Zn1 Li1 9_4555 ? 9_5455 178.0(2) 177.5(2) 179.4(2) ? Zn1 Zn1 Li1 9_4555 ? 9_5555 58.55(19) 58.12(19) 59.5(2) ? Zn1 Zn1 Li1 9_4555 ? 2_6645 60.6(2) 59.87(18) 61.0(3) ? Zn1 Zn1 Li1 9_4555 ? 2_6655 60.6(2) 59.87(18) 61.0(3) ? Zn1 Zn1 Li1 9_4555 ? 10_5545 92.2(2) 91.4(2) 92.6(2) ? Zn1 Zn1 Li1 9_4555 ? 10_5555 92.2(2) 91.4(2) 92.6(2) ? Zn1 Zn1 Li1 9_4555 ? 10_6545 122.5(2) 122.5(2) 122.6(2) ? Zn1 Zn1 Li1 9_4555 ? 10_6555 122.5(2) 122.5(2) 122.6(2) ? Zn1 Zn1 Zn1 9_5455 ? 9_5555 120.33(16) 119.26(18) 121.50(16) ? Zn1 Zn1 Zn1 9_5455 ? 2_6645 121.17(16) 120.15(17) 121.84(16) ? Zn1 Zn1 Zn1 9_5455 ? 2_6655 121.17(16) 120.15(17) 121.84(16) ? Zn1 Zn1 Zn1 9_5455 ? 10_5545 90.9(3) 89.1(2) 91.9(4) ? Zn1 Zn1 Zn1 9_5455 ? 10_5555 90.9(3) 89.1(2) 91.9(4) ? Zn1 Zn1 Zn1 9_5455 ? 10_6545 60.0(2) 58.9(2) 61.1(2) ? Zn1 Zn1 Zn1 9_5455 ? 10_6555 60.0(2) 58.9(2) 61.1(2) ? Zn1 Zn1 Li1 9_5455 ? 1_4555 124.6(4) 122.0(4) 125.6(4) ? Zn1 Zn1 Li1 9_5455 ? 1_6555 63.5(2) 61.3(2) 65.1(2) ? Zn1 Zn1 Li1 9_5455 ? 9_4455 61.2(2) 60.45(18) 61.8(2) ? Zn1 Zn1 Li1 9_5455 ? 9_4555 179.2(2) 178.6(2) 180.0(5) ? Zn1 Zn1 Li1 9_5455 ? 2_6645 119.28(19) 118.8(2) 120.51(17) ? Zn1 Zn1 Li1 9_5455 ? 2_6655 119.28(19) 118.8(2) 120.51(17) ? Zn1 Zn1 Li1 9_5455 ? 10_5545 88.1(2) 87.8(2) 88.2(2) ? Zn1 Zn1 Li1 9_5455 ? 10_5555 88.1(2) 87.8(2) 88.2(2) ? Zn1 Zn1 Li1 9_5455 ? 10_6545 57.4(2) 56.9(2) 58.6(2) ? Zn1 Zn1 Li1 9_5455 ? 10_6555 57.4(2) 56.9(2) 58.6(2) ? Zn1 Zn1 Zn1 9_5555 ? 2_6645 59.18(18) 58.65(18) 60.26(18) ? Zn1 Zn1 Zn1 9_5555 ? 2_6655 59.18(18) 58.65(18) 60.26(18) ? Zn1 Zn1 Zn1 9_5555 ? 10_5545 119.7(3) 118.9(3) 121.5(2) ? Zn1 Zn1 Zn1 9_5555 ? 10_5555 119.7(3) 118.9(3) 121.5(2) ? Zn1 Zn1 Zn1 9_5555 ? 10_6545 89.5(2) 88.6(3) 91.4(2) ? Zn1 Zn1 Zn1 9_5555 ? 10_6555 89.5(2) 88.6(3) 91.4(2) ? Zn1 Zn1 Li1 9_5555 ? 1_4555 115.6(4) 115.0(4) 117.4(4) ? Zn1 Zn1 Li1 9_5555 ? 1_6555 57.2(2) 55.6(3) 60.1(2) ? Zn1 Zn1 Li1 9_5555 ? 9_4455 178.0(2) 177.5(2) 179.4(2) ? Zn1 Zn1 Li1 9_5555 ? 9_4555 58.5(2) 58.12(19) 59.4(2) ? Zn1 Zn1 Li1 9_5555 ? 2_6645 60.6(2) 59.90(18) 61.0(3) ? Zn1 Zn1 Li1 9_5555 ? 2_6655 60.6(2) 59.90(18) 61.0(3) ? Zn1 Zn1 Li1 9_5555 ? 10_5545 122.5(2) 122.5(2) 122.6(2) ? Zn1 Zn1 Li1 9_5555 ? 10_5555 122.5(2) 122.5(2) 122.6(2) ? Zn1 Zn1 Li1 9_5555 ? 10_6545 92.2(2) 91.4(2) 92.6(2) ? Zn1 Zn1 Li1 9_5555 ? 10_6555 92.2(2) 91.4(2) 92.6(2) ? Zn1 Zn1 Zn1 2_6645 ? 2_6655 107.0(3) 105.8(3) 108.9(3) ? Zn1 Zn1 Zn1 2_6645 ? 10_5545 60.8(2) 60.2(2) 62.5(2) ? Zn1 Zn1 Zn1 2_6645 ? 10_5555 145.0(2) 143.9(2) 146.9(2) ? Zn1 Zn1 Zn1 2_6645 ? 10_6545 60.8(2) 60.2(2) 62.5(2) ? Zn1 Zn1 Zn1 2_6645 ? 10_6555 145.0(2) 143.9(2) 146.9(2) ? Zn1 Zn1 Li1 2_6645 ? 1_4555 89.51(16) 88.81(17) 90.13(16) ? Zn1 Zn1 Li1 2_6645 ? 1_6555 89.48(16) 88.77(17) 90.11(16) ? Zn1 Zn1 Li1 2_6645 ? 9_4455 120.27(13) 119.57(13) 120.53(12) ? Zn1 Zn1 Li1 2_6645 ? 9_4555 58.26(15) 57.76(14) 59.39(14) ? Zn1 Zn1 Li1 2_6645 ? 9_5455 120.27(13) 119.59(13) 120.53(12) ? Zn1 Zn1 Li1 2_6645 ? 9_5555 58.25(15) 57.75(14) 59.36(14) ? Zn1 Zn1 Li1 2_6645 ? 10_5545 64.1(2) 62.90(19) 64.84(19) ? Zn1 Zn1 Li1 2_6645 ? 10_5555 147.4(2) 147.0(2) 147.7(2) ? Zn1 Zn1 Li1 2_6645 ? 10_6545 64.1(2) 62.9(2) 64.84(19) ? Zn1 Zn1 Li1 2_6645 ? 10_6555 147.4(2) 147.0(2) 147.6(2) ? Zn1 Zn1 Zn1 2_6655 ? 10_5545 145.0(2) 143.9(2) 146.9(2) ? Zn1 Zn1 Zn1 2_6655 ? 10_5555 60.8(2) 60.2(2) 62.5(2) ? Zn1 Zn1 Zn1 2_6655 ? 10_6545 145.0(2) 143.9(2) 146.9(2) ? Zn1 Zn1 Zn1 2_6655 ? 10_6555 60.8(2) 60.2(2) 62.5(2) ? Zn1 Zn1 Li1 2_6655 ? 1_4555 89.51(16) 88.81(17) 90.13(16) ? Zn1 Zn1 Li1 2_6655 ? 1_6555 89.48(16) 88.77(17) 90.11(16) ? Zn1 Zn1 Li1 2_6655 ? 9_4455 120.27(13) 119.57(13) 120.53(12) ? Zn1 Zn1 Li1 2_6655 ? 9_4555 58.26(15) 57.76(14) 59.39(14) ? Zn1 Zn1 Li1 2_6655 ? 9_5455 120.27(13) 119.59(13) 120.53(12) ? Zn1 Zn1 Li1 2_6655 ? 9_5555 58.25(15) 57.75(14) 59.36(14) ? Zn1 Zn1 Li1 2_6655 ? 10_5545 147.4(2) 147.0(2) 147.7(2) ? Zn1 Zn1 Li1 2_6655 ? 10_5555 64.1(2) 62.90(19) 64.84(19) ? Zn1 Zn1 Li1 2_6655 ? 10_6545 147.4(2) 147.0(2) 147.6(2) ? Zn1 Zn1 Li1 2_6655 ? 10_6555 64.1(2) 62.9(2) 64.84(19) ? Zn1 Zn1 Zn1 10_5545 ? 10_5555 108.50(19) 106.53(17) 109.87(19) ? Zn1 Zn1 Zn1 10_5545 ? 10_6545 61.96(9) 61.52(9) 62.23(12) ? Zn1 Zn1 Zn1 10_5545 ? 10_6555 147.4(4) 145.3(4) 148.9(7) ? Zn1 Zn1 Li1 10_5545 ? 1_4555 60.49(10) 59.32(10) 60.96(11) ? Zn1 Zn1 Li1 10_5545 ? 1_6555 122.28(12) 121.36(13) 122.96(11) ? Zn1 Zn1 Li1 10_5545 ? 9_4455 59.6(2) 58.72(14) 60.37(19) ? Zn1 Zn1 Li1 10_5545 ? 9_4555 89.6(2) 89.4(3) 89.94(16) ? Zn1 Zn1 Li1 10_5545 ? 9_5455 90.7(2) 89.9(2) 91.4(2) ? Zn1 Zn1 Li1 10_5545 ? 9_5555 120.20(18) 119.37(18) 121.12(18) ? Zn1 Zn1 Li1 10_5545 ? 2_6645 59.15(19) 58.15(18) 60.74(18) ? Zn1 Zn1 Li1 10_5545 ? 2_6655 145.6(2) 144.93(19) 146.4(2) ? Zn1 Zn1 Li1 10_5545 ? 10_6545 60.98(9) 60.44(8) 61.47(9) ? Zn1 Zn1 Li1 10_5545 ? 10_6555 144.4(4) 142.8(3) 145.2(4) ? Zn1 Zn1 Zn1 10_5555 ? 10_6545 147.4(4) 145.3(4) 148.9(7) ? Zn1 Zn1 Zn1 10_5555 ? 10_6555 61.96(9) 61.52(9) 62.23(12) ? Zn1 Zn1 Li1 10_5555 ? 1_4555 60.49(10) 59.32(10) 60.96(11) ? Zn1 Zn1 Li1 10_5555 ? 1_6555 122.28(12) 121.36(13) 122.96(11) ? Zn1 Zn1 Li1 10_5555 ? 9_4455 59.6(2) 58.72(14) 60.37(19) ? Zn1 Zn1 Li1 10_5555 ? 9_4555 89.6(2) 89.4(3) 89.94(16) ? Zn1 Zn1 Li1 10_5555 ? 9_5455 90.7(2) 89.9(2) 91.4(2) ? Zn1 Zn1 Li1 10_5555 ? 9_5555 120.20(18) 119.37(18) 121.12(18) ? Zn1 Zn1 Li1 10_5555 ? 2_6645 145.6(2) 144.93(19) 146.4(2) ? Zn1 Zn1 Li1 10_5555 ? 2_6655 59.15(19) 58.15(18) 60.74(18) ? Zn1 Zn1 Li1 10_5555 ? 10_6545 144.4(4) 142.8(3) 145.2(4) ? Zn1 Zn1 Li1 10_5555 ? 10_6555 60.98(9) 60.44(8) 61.47(9) ? Zn1 Zn1 Zn1 10_6545 ? 10_6555 108.47(19) 106.53(17) 109.87(19) ? Zn1 Zn1 Li1 10_6545 ? 1_4555 122.33(12) 121.36(11) 122.95(11) ? Zn1 Zn1 Li1 10_6545 ? 1_6555 60.43(10) 59.28(10) 60.96(11) ? Zn1 Zn1 Li1 10_6545 ? 9_4455 90.6(2) 89.9(2) 91.3(2) ? Zn1 Zn1 Li1 10_6545 ? 9_4555 120.29(18) 119.54(18) 121.08(18) ? Zn1 Zn1 Li1 10_6545 ? 9_5455 59.6(2) 58.72(14) 60.37(19) ? Zn1 Zn1 Li1 10_6545 ? 9_5555 89.6(2) 89.4(2) 89.96(16) ? Zn1 Zn1 Li1 10_6545 ? 2_6645 59.19(19) 58.15(18) 60.76(18) ? Zn1 Zn1 Li1 10_6545 ? 2_6655 145.5(2) 144.92(19) 146.3(2) ? Zn1 Zn1 Li1 10_6545 ? 10_5545 60.97(9) 60.43(8) 61.47(9) ? Zn1 Zn1 Li1 10_6545 ? 10_5555 144.4(4) 142.8(3) 145.2(4) ? Zn1 Zn1 Li1 10_6555 ? 1_4555 122.33(12) 121.36(11) 122.95(11) ? Zn1 Zn1 Li1 10_6555 ? 1_6555 60.43(10) 59.28(10) 60.96(11) ? Zn1 Zn1 Li1 10_6555 ? 9_4455 90.6(2) 89.9(2) 91.3(2) ? Zn1 Zn1 Li1 10_6555 ? 9_4555 120.29(18) 119.54(18) 121.08(18) ? Zn1 Zn1 Li1 10_6555 ? 9_5455 59.6(2) 58.72(14) 60.37(19) ? Zn1 Zn1 Li1 10_6555 ? 9_5555 89.6(2) 89.4(2) 89.96(16) ? Zn1 Zn1 Li1 10_6555 ? 2_6645 145.5(2) 144.92(19) 146.3(2) ? Zn1 Zn1 Li1 10_6555 ? 2_6655 59.19(19) 58.15(18) 60.76(18) ? Zn1 Zn1 Li1 10_6555 ? 10_5545 144.4(4) 142.8(3) 145.2(4) ? Zn1 Zn1 Li1 10_6555 ? 10_5555 60.97(9) 60.43(8) 61.47(9) ? Li1 Zn1 Li1 1_4555 ? 1_6555 172.3(6) 171.7(7) 173.0(6) ? Li1 Zn1 Li1 1_4555 ? 9_5455 123.5(3) 122.3(3) 124.9(4) ? Li1 Zn1 Li1 1_4555 ? 9_5555 117.2(3) 115.8(4) 118.4(3) ? Li1 Zn1 Li1 1_4555 ? 2_6645 87.8(2) 87.4(2) 88.63(16) ? Li1 Zn1 Li1 1_4555 ? 2_6655 87.8(2) 87.4(2) 88.63(16) ? Li1 Zn1 Li1 1_4555 ? 10_5545 60.07(8) 60.02(8) 60.12(8) ? Li1 Zn1 Li1 1_4555 ? 10_5555 60.07(8) 60.02(8) 60.12(8) ? Li1 Zn1 Li1 1_6555 ? 9_4455 123.4(3) 122.3(3) 124.7(3) ? Li1 Zn1 Li1 1_6555 ? 9_4555 117.3(3) 116.1(3) 118.3(3) ? Li1 Zn1 Li1 1_6555 ? 2_6645 87.9(2) 87.4(2) 88.66(15) ? Li1 Zn1 Li1 1_6555 ? 2_6655 87.9(2) 87.4(2) 88.66(15) ? Li1 Zn1 Li1 1_6555 ? 10_6545 60.08(8) 60.04(8) 60.13(8) ? Li1 Zn1 Li1 1_6555 ? 10_6555 60.08(8) 60.04(8) 60.13(8) ? Li1 Zn1 Li1 9_4455 ? 9_4555 119.47(18) 119.22(18) 119.96(15) ? Li1 Zn1 Li1 9_4455 ? 2_6645 119.40(17) 119.34(17) 119.46(17) ? Li1 Zn1 Li1 9_4455 ? 2_6655 119.40(17) 119.34(17) 119.46(17) ? Li1 Zn1 Li1 9_4455 ? 10_6545 88.9(3) 88.3(2) 89.7(3) ? Li1 Zn1 Li1 9_4455 ? 10_6555 88.9(3) 88.3(2) 89.7(3) ? Li1 Zn1 Li1 9_4555 ? 2_6645 59.68(18) 59.59(18) 59.78(18) ? Li1 Zn1 Li1 9_4555 ? 2_6655 59.68(18) 59.59(18) 59.78(18) ? Li1 Zn1 Li1 9_4555 ? 10_6545 122.3(2) 121.3(2) 122.6(2) ? Li1 Zn1 Li1 9_4555 ? 10_6555 122.3(2) 121.3(2) 122.6(2) ? Li1 Zn1 Li1 9_5455 ? 9_5555 119.47(18) 119.22(18) 119.97(15) ? Li1 Zn1 Li1 9_5455 ? 2_6645 119.36(17) 119.25(17) 119.47(17) ? Li1 Zn1 Li1 9_5455 ? 2_6655 119.36(17) 119.25(17) 119.47(17) ? Li1 Zn1 Li1 9_5455 ? 10_5545 88.9(3) 88.3(2) 89.7(3) ? Li1 Zn1 Li1 9_5455 ? 10_5555 88.9(3) 88.3(2) 89.7(3) ? Li1 Zn1 Li1 9_5555 ? 2_6645 59.75(18) 59.56(18) 59.94(18) ? Li1 Zn1 Li1 9_5555 ? 2_6655 59.75(18) 59.56(18) 59.94(18) ? Li1 Zn1 Li1 9_5555 ? 10_5545 122.3(2) 121.4(2) 122.6(2) ? Li1 Zn1 Li1 9_5555 ? 10_5555 122.3(2) 121.4(2) 122.6(2) ? Li1 Zn1 Li1 2_6645 ? 2_6655 111.0(4) 109.2(3) 112.0(6) ? Li1 Zn1 Li1 10_5545 ? 10_5555 105.8(2) 105.2(2) 107.09(18) ? Li1 Zn1 Li1 10_6545 ? 10_6555 105.8(2) 105.2(2) 107.15(18) ? Zn1 Li1 Zn1 1_4555 ? 1_6555 173.3(5) 170.3(7) 177.9(4) ? Zn1 Li1 Zn1 1_4555 ? 9_4455 57.9(3) 56.8(3) 59.8(2) ? Zn1 Li1 Zn1 1_4555 ? 9_4555 61.6(3) 59.5(2) 62.7(3) ? Zn1 Li1 Zn1 1_4555 ? 9_5455 115.4(4) 113.3(5) 118.9(3) ? Zn1 Li1 Zn1 1_4555 ? 9_5555 125.1(4) 121.1(3) 127.3(5) ? Zn1 Li1 Zn1 1_4555 ? 2_6645 91.88(17) 90.63(17) 92.74(18) ? Zn1 Li1 Zn1 1_4555 ? 2_6655 91.88(17) 90.63(17) 92.74(18) ? Zn1 Li1 Zn1 1_4555 ? 10_5545 58.55(10) 58.03(11) 59.37(9) ? Zn1 Li1 Zn1 1_4555 ? 10_5555 58.55(10) 58.03(11) 59.37(9) ? Zn1 Li1 Zn1 1_4555 ? 10_6545 118.70(18) 118.0(2) 120.02(11) ? Zn1 Li1 Zn1 1_4555 ? 10_6555 118.70(18) 118.0(2) 120.02(11) ? Zn1 Li1 Li1 1_4555 ? 10_5545 59.57(10) 59.51(10) 59.63(10) ? Zn1 Li1 Li1 1_4555 ? 10_5555 59.57(10) 59.51(10) 59.63(10) ? Zn1 Li1 Li1 1_4555 ? 10_6545 119.30(15) 119.08(16) 119.52(14) ? Zn1 Li1 Li1 1_4555 ? 10_6555 119.30(15) 119.08(16) 119.52(14) ? Zn1 Li1 Zn1 1_6555 ? 9_4455 115.4(4) 113.3(5) 119.0(3) ? Zn1 Li1 Zn1 1_6555 ? 9_4555 125.1(4) 121.0(3) 127.3(5) ? Zn1 Li1 Zn1 1_6555 ? 9_5455 57.9(3) 56.8(3) 59.8(2) ? Zn1 Li1 Zn1 1_6555 ? 9_5555 61.6(3) 59.4(2) 62.7(3) ? Zn1 Li1 Zn1 1_6555 ? 2_6645 91.88(17) 90.61(13) 92.74(19) ? Zn1 Li1 Zn1 1_6555 ? 2_6655 91.88(17) 90.61(13) 92.74(19) ? Zn1 Li1 Zn1 1_6555 ? 10_5545 118.72(18) 118.0(2) 120.04(11) ? Zn1 Li1 Zn1 1_6555 ? 10_5555 118.72(18) 118.0(2) 120.04(11) ? Zn1 Li1 Zn1 1_6555 ? 10_6545 58.51(10) 58.04(11) 59.24(9) ? Zn1 Li1 Zn1 1_6555 ? 10_6555 58.51(10) 58.04(11) 59.24(9) ? Zn1 Li1 Li1 1_6555 ? 10_5545 119.38(15) 119.27(15) 119.49(14) ? Zn1 Li1 Li1 1_6555 ? 10_5555 119.38(15) 119.27(15) 119.49(14) ? Zn1 Li1 Li1 1_6555 ? 10_6545 59.52(10) 59.39(9) 59.65(10) ? Zn1 Li1 Li1 1_6555 ? 10_6555 59.52(10) 59.39(9) 59.65(10) ? Zn1 Li1 Zn1 9_4455 ? 9_4555 119.48(16) 119.22(18) 119.98(18) ? Zn1 Li1 Zn1 9_4455 ? 9_5455 57.5(2) 56.5(3) 59.17(17) ? Zn1 Li1 Zn1 9_4455 ? 9_5555 177.0(3) 175.9(3) 179.1(2) ? Zn1 Li1 Zn1 9_4455 ? 2_6645 119.8(2) 119.5(2) 120.36(17) ? Zn1 Li1 Zn1 9_4455 ? 2_6655 119.8(2) 119.5(2) 120.36(17) ? Zn1 Li1 Zn1 9_4455 ? 10_5545 57.7(2) 57.4(3) 58.7(2) ? Zn1 Li1 Zn1 9_4455 ? 10_5555 57.7(2) 57.4(3) 58.7(2) ? Zn1 Li1 Zn1 9_4455 ? 10_6545 87.0(3) 86.3(4) 88.7(2) ? Zn1 Li1 Zn1 9_4455 ? 10_6555 87.0(3) 86.3(4) 88.7(2) ? Zn1 Li1 Li1 9_4455 ? 10_5545 57.66(19) 57.64(19) 57.68(19) ? Zn1 Li1 Li1 9_4455 ? 10_5555 57.66(19) 57.64(19) 57.68(19) ? Zn1 Li1 Li1 9_4455 ? 10_6545 87.6(2) 87.4(2) 87.7(2) ? Zn1 Li1 Li1 9_4455 ? 10_6555 87.6(2) 87.4(2) 87.7(2) ? Zn1 Li1 Zn1 9_4555 ? 9_5455 177.0(3) 175.9(3) 179.2(2) ? Zn1 Li1 Zn1 9_4555 ? 9_5555 63.5(3) 61.61(18) 64.7(4) ? Zn1 Li1 Zn1 9_4555 ? 2_6645 61.2(2) 59.90(18) 61.8(3) ? Zn1 Li1 Zn1 9_4555 ? 2_6655 61.2(2) 59.90(18) 61.8(3) ? Zn1 Li1 Zn1 9_4555 ? 10_5545 91.1(2) 90.8(2) 91.2(2) ? Zn1 Li1 Zn1 9_4555 ? 10_5555 91.1(2) 90.8(2) 91.2(2) ? Zn1 Li1 Zn1 9_4555 ? 10_6545 123.3(3) 121.9(2) 123.9(3) ? Zn1 Li1 Zn1 9_4555 ? 10_6555 123.3(3) 121.9(2) 123.9(3) ? Zn1 Li1 Li1 9_4555 ? 10_5545 91.3(2) 91.2(2) 91.3(2) ? Zn1 Li1 Li1 9_4555 ? 10_5555 91.3(2) 91.2(2) 91.3(2) ? Zn1 Li1 Li1 9_4555 ? 10_6545 122.7(2) 122.6(2) 122.8(2) ? Zn1 Li1 Li1 9_4555 ? 10_6555 122.7(2) 122.6(2) 122.8(2) ? Zn1 Li1 Zn1 9_5455 ? 9_5555 119.48(16) 119.22(18) 119.98(18) ? Zn1 Li1 Zn1 9_5455 ? 2_6645 119.8(2) 119.5(2) 120.38(17) ? Zn1 Li1 Zn1 9_5455 ? 2_6655 119.8(2) 119.5(2) 120.38(17) ? Zn1 Li1 Zn1 9_5455 ? 10_5545 87.0(3) 86.3(4) 88.7(2) ? Zn1 Li1 Zn1 9_5455 ? 10_5555 87.0(3) 86.3(4) 88.7(2) ? Zn1 Li1 Zn1 9_5455 ? 10_6545 57.7(2) 57.4(3) 58.6(2) ? Zn1 Li1 Zn1 9_5455 ? 10_6555 57.7(2) 57.4(3) 58.6(2) ? Zn1 Li1 Li1 9_5455 ? 10_5545 87.6(2) 87.6(2) 87.7(2) ? Zn1 Li1 Li1 9_5455 ? 10_5555 87.6(2) 87.6(2) 87.7(2) ? Zn1 Li1 Li1 9_5455 ? 10_6545 57.67(19) 57.64(19) 57.70(19) ? Zn1 Li1 Li1 9_5455 ? 10_6555 57.67(19) 57.64(19) 57.70(19) ? Zn1 Li1 Zn1 9_5555 ? 2_6645 61.2(2) 59.93(18) 61.8(3) ? Zn1 Li1 Zn1 9_5555 ? 2_6655 61.2(2) 59.93(18) 61.8(3) ? Zn1 Li1 Zn1 9_5555 ? 10_5545 123.3(3) 121.9(2) 123.9(3) ? Zn1 Li1 Zn1 9_5555 ? 10_5555 123.3(3) 121.9(2) 123.9(3) ? Zn1 Li1 Zn1 9_5555 ? 10_6545 91.1(2) 90.8(2) 91.2(2) ? Zn1 Li1 Zn1 9_5555 ? 10_6555 91.1(2) 90.8(2) 91.2(2) ? Zn1 Li1 Li1 9_5555 ? 10_5545 122.7(2) 122.6(2) 122.7(2) ? Zn1 Li1 Li1 9_5555 ? 10_5555 122.7(2) 122.6(2) 122.7(2) ? Zn1 Li1 Li1 9_5555 ? 10_6545 91.3(2) 91.2(2) 91.3(2) ? Zn1 Li1 Li1 9_5555 ? 10_6555 91.3(2) 91.2(2) 91.3(2) ? Zn1 Li1 Zn1 2_6645 ? 2_6655 111.0(4) 109.2(3) 112.0(6) ? Zn1 Li1 Zn1 2_6645 ? 10_5545 62.0(2) 61.4(2) 62.4(2) ? Zn1 Li1 Zn1 2_6645 ? 10_5555 147.8(2) 146.6(2) 148.3(3) ? Zn1 Li1 Zn1 2_6645 ? 10_6545 62.0(2) 61.4(2) 62.3(2) ? Zn1 Li1 Zn1 2_6645 ? 10_6555 147.8(2) 146.6(2) 148.3(3) ? Zn1 Li1 Li1 2_6645 ? 10_5545 62.64(19) 62.56(19) 62.72(19) ? Zn1 Li1 Li1 2_6645 ? 10_5555 147.8(2) 147.7(2) 147.8(2) ? Zn1 Li1 Li1 2_6645 ? 10_6545 62.59(19) 62.4(2) 62.74(19) ? Zn1 Li1 Li1 2_6645 ? 10_6555 147.8(2) 147.7(2) 147.9(2) ? Zn1 Li1 Zn1 2_6655 ? 10_5545 147.8(2) 146.6(2) 148.3(3) ? Zn1 Li1 Zn1 2_6655 ? 10_5555 62.0(2) 61.4(2) 62.4(2) ? Zn1 Li1 Zn1 2_6655 ? 10_6545 147.8(2) 146.6(2) 148.3(3) ? Zn1 Li1 Zn1 2_6655 ? 10_6555 62.0(2) 61.4(2) 62.3(2) ? Zn1 Li1 Li1 2_6655 ? 10_5545 147.8(2) 147.7(2) 147.8(2) ? Zn1 Li1 Li1 2_6655 ? 10_5555 62.64(19) 62.56(19) 62.72(19) ? Zn1 Li1 Li1 2_6655 ? 10_6545 147.8(2) 147.7(2) 147.9(2) ? Zn1 Li1 Li1 2_6655 ? 10_6555 62.59(19) 62.4(2) 62.74(19) ? Zn1 Li1 Zn1 10_5545 ? 10_5555 105.8(2) 105.2(3) 107.30(18) ? Zn1 Li1 Zn1 10_5545 ? 10_6545 60.23(11) 60.17(14) 60.33(9) ? Zn1 Li1 Zn1 10_5545 ? 10_6555 140.6(5) 140.0(6) 141.8(3) ? Zn1 Li1 Li1 10_5545 ? 10_6545 60.36(8) 60.33(8) 60.40(8) ? Zn1 Li1 Li1 10_5545 ? 10_6555 142.2(3) 141.9(3) 142.5(3) ? Zn1 Li1 Zn1 10_5555 ? 10_6545 140.6(5) 140.0(6) 141.8(3) ? Zn1 Li1 Zn1 10_5555 ? 10_6555 60.23(11) 60.17(14) 60.33(9) ? Zn1 Li1 Li1 10_5555 ? 10_6545 142.2(3) 141.9(3) 142.5(3) ? Zn1 Li1 Li1 10_5555 ? 10_6555 60.36(8) 60.33(8) 60.40(8) ? Zn1 Li1 Zn1 10_6545 ? 10_6555 105.8(2) 105.2(3) 107.25(18) ? Zn1 Li1 Li1 10_6545 ? 10_5545 60.37(8) 60.36(8) 60.39(8) ? Zn1 Li1 Li1 10_6545 ? 10_5555 142.3(3) 142.2(3) 142.5(3) ? Zn1 Li1 Li1 10_6555 ? 10_5545 142.3(3) 142.2(3) 142.5(3) ? Zn1 Li1 Li1 10_6555 ? 10_5555 60.37(8) 60.36(8) 60.39(8) ? Li1 Li1 Li1 10_5545 ? 10_5555 106.14(18) 106.13(18) 106.14(18) ? Li1 Li1 Li1 10_6545 ? 10_6555 106.13(18) 106.12(18) 106.14(18) ?