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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 _journal_date_recd_electronic 2015-09-16 _journal_date_from_coeditor 2016-05-30 _journal_date_accepted 2016-05-30 _journal_date_printers_first 2016-07-06 _journal_date_proofs_out 2016-07-06 _journal_date_proofs_in 2016-07-15 _journal_coeditor_code DK5041 _journal_paper_doi https://doi.org/10.1107/S205252061600874X _journal_paper_category FA _journal_techeditor_code B160874 _iucr_compatibility_tag ACTA95 _journal_coden_ASTM ASBSDK _journal_name_full 'Acta Crystallographica, Section B' _journal_year 2016 _journal_volume 72 _journal_issue 04 _journal_page_first 642 _journal_page_last 649 _audit_creation_method 'Jana2006 Version : 15/03/2013' _publ_contact_author_name 'Oeckler, Oliver' _publ_contact_author_address ;Institut fur Mineralogie, Kristallographie und Materialwissenschaft Universitat Leipzig Scharnhorststr. 20 D-04275 Leipzig Germany ; _publ_contact_author_email oliver.oeckler@gmx.de _publ_contact_author_fax '+49 (0)341 97-36299' _publ_contact_author_phone '+49 (0)341 97-36251' _publ_section_title ;Modulated crystal structure of InMo~4~O~6~ ; loop_ _publ_author_name _publ_author_address 'Schultz, Peter' ;Institut fur Mineralogie, Kristallographie und Materialwissenschaft Universitat Leipzig Scharnhorststr. 20 D-04275 Leipzig Germany ; 'Simon, Arndt' ;Max-Planck-Institut fur Festkorperforschung Heisenbergstrasse 1 70569 Stuttgart Germany ; 'Oeckler, Oliver' ;Institut fur Mineralogie, Kristallographie und Materialwissenschaft Universitat Leipzig Scharnhorststr. 20 D-04275 Leipzig Germany ; _database_code_depnum_ccdc_archive 'CCDC 1482621' _chemical_name_systematic 'indium tetramolybdenum hexoxide' _chemical_name_common 'indium molybdate' _chemical_formula_moiety 'In1 Mo4 O6' _chemical_formula_structural 'In1 Mo4 O6' _chemical_formula_sum 'In1 Mo4 O6' _chemical_formula_weight 594.55 _space_group_ssg_name P4/mbm(00\g)00ss _space_group_crystal_system tetragonal _space_group_name_H-M_alt 'P 4/m b m' _space_group_IT_number 127 loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,x4 3 -x2,x1,x3,x4 4 x2,-x1,x3,x4 5 -x1+1/2,x2+1/2,-x3,-x4+1/2 6 x1+1/2,-x2+1/2,-x3,-x4+1/2 7 x2+1/2,x1+1/2,-x3,-x4+1/2 8 -x2+1/2,-x1+1/2,-x3,-x4+1/2 9 -x1,-x2,-x3,-x4 10 x1,x2,-x3,-x4 11 x2,-x1,-x3,-x4 12 -x2,x1,-x3,-x4 13 x1+1/2,-x2+1/2,x3,x4+1/2 14 -x1+1/2,x2+1/2,x3,x4+1/2 15 -x2+1/2,-x1+1/2,x3,x4+1/2 16 x2+1/2,x1+1/2,x3,x4+1/2 _cell_length_a 9.6664(9) _cell_length_b 9.6664(9) _cell_length_c 2.8645(3) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 267.66(6) _cell_formula_units_Z 2 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.000000 0.000000 0.153600 _cell_measurement_reflns_used 15099 _cell_measurement_theta_min 4.215 _cell_measurement_theta_max 34.05 _cell_measurement_temperature 293 _exptl_crystal_type_of_structure mod _exptl_crystal_density_diffrn 7.38 _exptl_crystal_F_000 530 _exptl_absorpt_coefficient_mu 13.32 _exptl_crystal_description 'black needle' _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.07 _exptl_crystal_size_min 0.05 _exptl_crystal_colour black _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details 'Jana2006 (Petricek, Dusek & Palatinus, 2000)' _exptl_absorpt_correction_T_min 0.287 _exptl_absorpt_correction_T_max 0.532 _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 'area detector diffractometer' _diffrn_measurement_device_type 'Stoe IPDS-II' _diffrn_detector 'imaging plate' _diffrn_measurement_method oscillation _diffrn_reflns_number 14543 _diffrn_reflns_theta_min 3.7 _diffrn_reflns_theta_max 33.43 _diffrn_reflns_theta_full 33.43 _diffrn_measured_fraction_theta_max 0.99 _diffrn_measured_fraction_theta_full 0.99 _diffrn_reflns_av_R_equivalents 0.044 _diffrn_reflns_av_unetI/netI 0.037 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -3 _diffrn_reflns_limit_l_max 4 _diffrn_reflns_limit_index_m_1_min -1 _diffrn_reflns_limit_index_m_1_max 1 _diffrn_radiation_probe x-ray _refine_special_details ; The following entries contain R values for all reflection, the table in this comment specifies them for individual classes of reflections. -------------------------------------------------------------------------- |R factors : [800=686+114/30], Damping factor: 1.0000 | |GOF(obs)= 3.85 GOF(all)= 3.66 | |R(obs)= 3.89 wR(obs)= 7.39 R(all)= 4.56 wR(all)= 7.60 | |R factors for main reflections : [312=312+0] | |R(obs)= 2.52 wR(obs)= 5.44 R(all)= 2.52 wR(all)= 5.44 | |R factors for satellites of order 1 : [488=374+114] | |R(obs)= 9.43 wR(obs)= 10.48 R(all)= 12.35 wR(all)= 10.95 | |Last wR(all): 7.60 7.60 | |Maximum change/s.u. : 0.0005 for x[Mo2] | -------------------------------------------------------------------------- ; _reflns_number_total 800 _reflns_number_gt 686 _reflns_threshold_expression I>3\s(I) _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0389 _refine_ls_wR_factor_gt 0.0739 _refine_ls_R_factor_all 0.0456 _refine_ls_wR_factor_ref 0.0760 _refine_ls_goodness_of_fit_ref 3.66 _refine_ls_goodness_of_fit_gt 3.85 _refine_ls_number_reflns 800 _refine_ls_number_parameters 30 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details w=1/(\s^2^(F)+0.000225F^2^) _refine_ls_hydrogen_treatment noref _refine_ls_shift/su_max 0.0008 _refine_ls_shift/su_mean 0.0001 _refine_diff_density_max 2.77 _refine_diff_density_min -2.65 _refine_ls_extinction_method none loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source In -0.7276 1.3100 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' Mo -1.6832 0.6857 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' O 0.0106 0.0060 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1' _computing_data_collection 'IPDS software package (Stoe, 2002)' _computing_cell_refinement 'IPDS software package (Stoe, 2002)' _computing_data_reduction 'X-Area (Stoe, 2002)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'JANA2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics 'Diamond 3.1' 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 In1 In 0 0 0 Uani 0.0146(3) 2 1 d ? ? ? Mo1 Mo 0.60152(4) 0.10152(4) 0 Uani 0.00569(17) 4 1 d ? ? ? Mo2 Mo 0.35697(4) 0.14303(4) 0.5 Uani 0.00926(18) 4 1 d ? ? ? O1 O 0.4558(4) 0.2579(4) 0 Uani 0.0089(7) 8 1 d ? ? ? O2 O 0.7059(3) 0.2059(3) 0.5 Uani 0.0066(7) 4 1 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 In1 In 0.0159(3) 0.0159(3) 0.0119(8) 0 0 0 Mo1 Mo 0.0060(3) 0.0060(3) 0.0051(3) -0.00044(14) 0 0 Mo2 Mo 0.0052(3) 0.0052(3) 0.0173(4) -0.00049(14) 0 0 O1 O 0.0124(13) 0.0085(13) 0.0057(11) 0.0040(12) 0 0 O2 O 0.0081(11) 0.0081(11) 0.0036(16) -0.0063(16) 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _jana_atom_site_Fourier_wave_vector_q1_coeff 1 1 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 Mo1x1 Mo1 x 1 Mo1y1 Mo1 y 1 Mo1z1 Mo1 z 1 Mo2x1 Mo2 x 1 Mo2y1 Mo2 y 1 Mo2z1 Mo2 z 1 O1x1 O1 x 1 O1y1 O1 y 1 O1z1 O1 z 1 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Mo1x1 -0.00033(6) 0 Mo1y1 0.00033(6) 0 Mo1z1 0 0 Mo2x1 0.00268(7) 0 Mo2y1 0.00268(7) 0 Mo2z1 0 0 O1x1 0.0017(6) 0 O1y1 0.0043(5) 0 O1z1 0 0.008(2) loop_ _atom_site_displace_special_func_atom_site_label _atom_site_displace_special_func_sawtooth_ax _atom_site_displace_special_func_sawtooth_ay _atom_site_displace_special_func_sawtooth_az _atom_site_displace_special_func_sawtooth_c _atom_site_displace_special_func_sawtooth_w In1 0.0001 0.0001 -0.1918(10) 0 1 loop_ _atom_site_U_Fourier_id _atom_site_U_Fourier_atom_site_label _atom_site_U_Fourier_tens_elem _atom_site_U_Fourier_wave_vector_seq_id In1U111 In1 U11 1 In1U221 In1 U22 1 In1U331 In1 U33 1 In1U121 In1 U12 1 In1U131 In1 U13 1 In1U231 In1 U23 1 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin In1U111 -0.0015(3) 0 In1U221 -0.0015(3) 0 In1U331 0.0050(7) 0 In1U121 0 0 In1U131 0 0 In1U231 0 0 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x, -y, z' 3 '-y, x, z' 4 'y, -x, z' 5 '-x+1/2, y+1/2, -z' 6 'x+1/2, -y+1/2, -z' 7 'y+1/2, x+1/2, -z' 8 '-y+1/2, -x+1/2, -z' 9 '-x, -y, -z' 10 'x, y, -z' 11 'y, -x, -z' 12 '-y, x, -z' 13 'x-1/2, -y-1/2, z' 14 '-x-1/2, y-1/2, z' 15 '-y-1/2, -x-1/2, z' 16 'y-1/2, x-1/2, z' loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mo1 O2 2.025(7) ? ? Mo1 O2 2.025(7) 1_556 ? Mo1 O1 2.064(8) 7_545 ? Mo1 O1 2.064(8) ? ? Mo1 Mo1 2.777(2) 9_655 ? Mo1 Mo2 2.7941(11) ? ? Mo1 Mo2 2.7942(11) 9_654 ? Mo1 Mo2 2.7942(11) 9_655 ? Mo1 Mo2 2.7942(11) 1_556 ? Mo1 Mo1 2.8645(3) 1_554 ? Mo1 Mo1 2.8645(3) 1_556 ? Mo2 O1 2.049(6) ? ? Mo2 O1 2.049(6) 15_664 ? Mo2 O1 2.049(6) 15_665 ? Mo2 O1 2.049(6) 1_554 ? Mo2 O2 2.059(10) 11_564 ? Mo2 Mo1 2.7941(11) 9_654 ? Mo2 Mo1 2.7941(11) 9_655 ? Mo2 Mo1 2.7941(11) 1_554 ? Mo2 Mo2 2.8645(3) 1_556 ? Mo2 Mo2 2.8645(3) 1_554 ? In1 O1 2.379(8) 15_664 ? In1 O1 2.379(8) 7_444 ? In1 O1 2.379(8) 13_564 ? In1 O1 2.379(8) 5_544 ? In1 In1 2.8645(3) 1_554 ? In1 In1 2.8645(3) 1_556 ? O1 Mo2 2.049(6) 1_556 ? O1 In1 2.379(8) 5_554 ? O2 Mo1 2.025(7) 1_554 ? O2 Mo2 2.059(10) 3_655 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O2 Mo1 O2 90.0(4) ? 1_556 ? O2 Mo1 O1 88.55(17) ? 7_545 ? O2 Mo1 O1 88.55(17) 1_556 7_545 ? O2 Mo1 O1 88.55(17) ? ? ? O2 Mo1 O1 88.55(17) 1_556 ? ? O1 Mo1 O1 175.9(5) 7_545 ? ? O2 Mo1 Mo1 135.0(2) ? 9_655 ? O2 Mo1 Mo1 135.0(2) 1_556 9_655 ? O1 Mo1 Mo1 92.0(2) 7_545 9_655 ? O1 Mo1 Mo1 92.0(2) ? 9_655 ? O2 Mo1 Mo2 89.35(15) ? ? ? O2 Mo1 Mo2 135.55(2) 1_556 ? ? O1 Mo1 Mo2 135.85(17) 7_545 ? ? O1 Mo1 Mo2 47.00(17) ? ? ? Mo1 Mo1 Mo2 60.21(2) 9_655 ? ? O2 Mo1 Mo2 89.35(15) ? 9_654 ? O2 Mo1 Mo2 135.55(2) 1_556 9_654 ? O1 Mo1 Mo2 47.00(17) 7_545 9_654 ? O1 Mo1 Mo2 135.85(17) ? 9_654 ? Mo1 Mo1 Mo2 60.21(2) 9_655 9_654 ? Mo2 Mo1 Mo2 88.90(4) ? 9_654 ? O2 Mo1 Mo2 135.55(2) ? 9_655 ? O2 Mo1 Mo2 89.35(15) 1_556 9_655 ? O1 Mo1 Mo2 47.00(17) 7_545 9_655 ? O1 Mo1 Mo2 135.85(17) ? 9_655 ? Mo1 Mo1 Mo2 60.21(2) 9_655 9_655 ? Mo2 Mo1 Mo2 120.41(5) ? 9_655 ? Mo2 Mo1 Mo2 61.67(3) 9_654 9_655 ? O2 Mo1 Mo2 135.55(2) ? 1_556 ? O2 Mo1 Mo2 89.35(15) 1_556 1_556 ? O1 Mo1 Mo2 135.86(17) 7_545 1_556 ? O1 Mo1 Mo2 47.00(17) ? 1_556 ? Mo1 Mo1 Mo2 60.21(2) 9_655 1_556 ? Mo2 Mo1 Mo2 61.67(3) ? 1_556 ? Mo2 Mo1 Mo2 120.41(5) 9_654 1_556 ? Mo2 Mo1 Mo2 88.90(4) 9_655 1_556 ? O2 Mo1 Mo1 45.0(2) ? 1_554 ? O2 Mo1 Mo1 135.0(2) 1_556 1_554 ? O1 Mo1 Mo1 90.0 7_545 1_554 ? O1 Mo1 Mo1 90.0 ? 1_554 ? Mo1 Mo1 Mo1 90.0 9_655 1_554 ? Mo2 Mo1 Mo1 59.163(13) ? 1_554 ? Mo2 Mo1 Mo1 59.163(13) 9_654 1_554 ? Mo2 Mo1 Mo1 120.836(13) 9_655 1_554 ? Mo2 Mo1 Mo1 120.836(13) 1_556 1_554 ? O2 Mo1 Mo1 135.0(2) ? 1_556 ? O2 Mo1 Mo1 45.0(2) 1_556 1_556 ? O1 Mo1 Mo1 90.0 7_545 1_556 ? O1 Mo1 Mo1 90.0 ? 1_556 ? Mo1 Mo1 Mo1 90.0 9_655 1_556 ? Mo2 Mo1 Mo1 120.836(13) ? 1_556 ? Mo2 Mo1 Mo1 120.836(13) 9_654 1_556 ? Mo2 Mo1 Mo1 59.163(13) 9_655 1_556 ? Mo2 Mo1 Mo1 59.163(14) 1_556 1_556 ? Mo1 Mo1 Mo1 180.0 1_554 1_556 ? O1 Mo2 O1 174.1(4) ? 15_664 ? O1 Mo2 O1 91.0(3) ? 15_665 ? O1 Mo2 O1 88.7(3) 15_664 15_665 ? O1 Mo2 O1 88.7(3) ? 1_554 ? O1 Mo2 O1 91.0(3) 15_664 1_554 ? O1 Mo2 O1 174.1(4) 15_665 1_554 ? O1 Mo2 O2 87.0(2) ? 11_564 ? O1 Mo2 O2 87.0(2) 15_664 11_564 ? O1 Mo2 O2 87.0(2) 15_665 11_564 ? O1 Mo2 O2 87.0(2) 1_554 11_564 ? O1 Mo2 Mo1 138.5(2) ? 9_654 ? O1 Mo2 Mo1 47.4(2) 15_664 9_654 ? O1 Mo2 Mo1 92.3(2) 15_665 9_654 ? O1 Mo2 Mo1 91.85(19) 1_554 9_654 ? O2 Mo2 Mo1 134.45(2) 11_564 9_654 ? O1 Mo2 Mo1 91.85(19) ? 9_655 ? O1 Mo2 Mo1 92.3(2) 15_664 9_655 ? O1 Mo2 Mo1 47.4(2) 15_665 9_655 ? O1 Mo2 Mo1 138.5(2) 1_554 9_655 ? O2 Mo2 Mo1 134.45(2) 11_564 9_655 ? Mo1 Mo2 Mo1 61.67(3) 9_654 9_655 ? O1 Mo2 Mo1 92.3(2) ? 1_554 ? O1 Mo2 Mo1 91.85(19) 15_664 1_554 ? O1 Mo2 Mo1 138.5(2) 15_665 1_554 ? O1 Mo2 Mo1 47.4(2) 1_554 1_554 ? O2 Mo2 Mo1 134.45(2) 11_564 1_554 ? Mo1 Mo2 Mo1 59.59(5) 9_654 1_554 ? Mo1 Mo2 Mo1 91.10(4) 9_655 1_554 ? O1 Mo2 Mo1 47.4(2) ? ? ? O1 Mo2 Mo1 138.5(2) 15_664 ? ? O1 Mo2 Mo1 91.85(19) 15_665 ? ? O1 Mo2 Mo1 92.3(2) 1_554 ? ? O2 Mo2 Mo1 134.45(2) 11_564 ? ? Mo1 Mo2 Mo1 91.10(4) 9_654 ? ? Mo1 Mo2 Mo1 59.59(5) 9_655 ? ? Mo1 Mo2 Mo1 61.67(3) 1_554 ? ? O1 Mo2 Mo2 45.67(17) ? 1_556 ? O1 Mo2 Mo2 134.33(17) 15_664 1_556 ? O1 Mo2 Mo2 45.67(17) 15_665 1_556 ? O1 Mo2 Mo2 134.33(17) 1_554 1_556 ? O2 Mo2 Mo2 90.0 11_564 1_556 ? Mo1 Mo2 Mo2 120.837(13) 9_654 1_556 ? Mo1 Mo2 Mo2 59.164(13) 9_655 1_556 ? Mo1 Mo2 Mo2 120.837(13) 1_554 1_556 ? Mo1 Mo2 Mo2 59.164(13) ? 1_556 ? O1 Mo2 Mo2 134.33(17) ? 1_554 ? O1 Mo2 Mo2 45.67(17) 15_664 1_554 ? O1 Mo2 Mo2 134.33(17) 15_665 1_554 ? O1 Mo2 Mo2 45.67(17) 1_554 1_554 ? O2 Mo2 Mo2 90.0 11_564 1_554 ? Mo1 Mo2 Mo2 59.164(13) 9_654 1_554 ? Mo1 Mo2 Mo2 120.837(14) 9_655 1_554 ? Mo1 Mo2 Mo2 59.164(13) 1_554 1_554 ? Mo1 Mo2 Mo2 120.837(13) ? 1_554 ? Mo2 Mo2 Mo2 180.0 1_556 1_554 ? O1 In1 O1 180.0 15_664 7_444 ? O1 In1 O1 90.0 15_664 13_564 ? O1 In1 O1 90.0 7_444 13_564 ? O1 In1 O1 90.0 15_664 5_544 ? O1 In1 O1 90.000(1) 7_444 5_544 ? O1 In1 O1 180.0(4) 13_564 5_544 ? O1 In1 In1 90.0 15_664 1_554 ? O1 In1 In1 90.0 7_444 1_554 ? O1 In1 In1 90.0 13_564 1_554 ? O1 In1 In1 90.0 5_544 1_554 ? O1 In1 In1 90.0 15_664 1_556 ? O1 In1 In1 90.0 7_444 1_556 ? O1 In1 In1 90.0 13_564 1_556 ? O1 In1 In1 90.0 5_544 1_556 ? In1 In1 In1 180.0 1_554 1_556 ? Mo2 O1 Mo2 88.7(3) 1_556 ? ? Mo2 O1 Mo1 85.6(3) 1_556 ? ? Mo2 O1 Mo1 85.6(3) ? ? ? Mo2 O1 In1 128.0(2) 1_556 5_554 ? Mo2 O1 In1 128.0(2) ? 5_554 ? Mo1 O1 In1 126.8(4) ? 5_554 ? Mo1 O2 Mo1 90.0(4) ? 1_554 ? Mo1 O2 Mo2 135.0(2) ? 3_655 ? Mo1 O2 Mo2 135.0(2) 1_554 3_655 ?