#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/17/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-17
_audit_creation_method          "Bilbao Crystallographic Server"


_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        15
_citation_page_first            4835
_citation_page_last             4846
_citation_article_id            .
_citation_year                  1982
_citation_DOI                   10.1088/0022-3719/15/23/020

loop_
_citation_author_name
"I Sosnowska"
"T P Neumaier"
"E Steichele"

_atomic_positions_source_database_code_ICSD  75324
_atomic_positions_source_other               .

_transition_temperature     643
_experiment_temperature     293

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM1 6 1 general primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a different paper
Moment magnitude was not adjusted. It was assumed 4 muB
Very long period modulation
;

_active_magnetic_irreps_details
;
1k incommensurate magnetic structur
2-dim extended (k,-k) small irrep as primary. 
The irrep star has three (k,-k) pairs. Possible multi-k modulations involving more than one pair were not considered.
Polar on the plane perpendicular to the propagation vector
;

_parent_space_group.name_H-M_alt  'R 3 c'
_parent_space_group.IT_number             161
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

_cell_modulation_dimension               1

loop_
_cell_wave_vector_seq_id
_cell_wave_vector_x
_cell_wave_vector_y
_cell_wave_vector_z
1 0.0045 0.0045 0.00000


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

_space_group.magn_ssg_name  "Cc1'(0,0,g)0s"
_space_group.magn_point_group_name  "m1'"
_space_group.magn_point_group_number  4.2.10
_cell_length_a                 5.57750
_cell_length_b                 5.57750
_cell_length_c                 13.86160
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              120.00000

loop_
_space_group_symop_magn_ssg_operation.id
_space_group_symop_magn_ssg_operation.algebraic
1 x1,x2,x3,x4,+1
2 -x2+1/3,-x1+2/3,x3+1/6,-x4,+1

loop_
_space_group_symop_magn_ssg_centering.id
_space_group_symop_magn_ssg_centering.algebraic
1 x1,x2,x3,x4,+1
2 x1,x2,x3,x4+1/2,-1
3 x1+1/3,x2+2/3,x3+2/3,x4,+1
4 x1+1/3,x2+2/3,x3+2/3,x4+1/2,-1
5 x1+2/3,x2+1/3,x3+1/3,x4,+1
6 x1+2/3,x2+1/3,x3+1/3,x4+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi1_1 Bi 0.00000 0.00000 0.7792 1
Fe1_1 Fe 0.00000 0.00000 0.0000 1
O1_1 O 0.44730 0.01980 0.7317  1
O1_2 O  0.98020 0.42750 0.7317  1
O1_3 O  0.57250 0.55270 0.7317  1


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_1 0.00000 0.00000 0.00000 0,0,0

loop_
_atom_site_Fourier_wave_vector.seq_id
_atom_site_Fourier_wave_vector.q1_coeff
1 1

loop_
_atom_site_moment_Fourier.atom_site_label
_atom_site_moment_Fourier.axis
_atom_site_moment_Fourier.wave_vector_seq_id
_atom_site_moment_Fourier_param.cos
_atom_site_moment_Fourier_param.sin
_atom_site_moment_Fourier_param.cos_symmform
_atom_site_moment_Fourier_param.sin_symmform
Fe1_1 x 1  0.0 -4.0 mxc1 mxs1
Fe1_1 y 1  0.0 -4.0 myc1 mys1
Fe1_1 z 1 -4.0 0.0 mzc1 mzs1


