#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 16/09/2018 17:41:11

data_5yOhtAoR
_audit_creation_date            2018-09-16
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Chem. Sci."
_citation_journal_volume        3
_citation_page_first            741
_citation_page_last             751
_citation_article_id            ?
_citation_year                  2012
_citation_DOI                   10.1039/c2sc00765g

loop_
_citation_author_name
"S.W. Kim"
"S.-H. Kim"
"P.S. Halasyamani"
"M.A. Green"
"K.P. Bhatti"
"C. Leighton"
"H. Das"
"C.J. Fennie"




_atomic_positions_source_database_code_ICSD  186748
_atomic_positions_source_other               .

_transition_temperature  16
_experiment_temperature  4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry (8 possible)
1-dim irrep active
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  62.441
_space_group_magn.name_BNS  "P n m a"
_cell_length_a             6.96630
_cell_length_b             7.43900
_cell_length_c             10.12160
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 x+1/2,-y+1/2,-z+1/2,+1
3 -x,y+1/2,-z,+1
4 -x+1/2,-y,z+1/2,+1
5 -x,-y,-z,+1
6 -x+1/2,y+1/2,z+1/2,+1
7 x,-y+1/2,z,+1
8 x+1/2,y,-z+1/2,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Rb1 Rb 0.99420 0.25000 0.37980
Fe1 Fe 0.80140 0.25000 0.73020
Fe2 Fe 0.00000 0.00000 0.00000
F1 F 0.74130 0.06440 0.57840
F2 F 0.37910 0.00770 0.66980
F3 F 0.43220 0.25000 0.46720
F4 F 0.56820 0.25000 0.84070

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Fe1 0.00000 3.99(5) 0.00000 0,my,0
Fe2 -4.29(5) 0.00000 0.00000 mx,my,mz
