#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 25/03/2021

data_5yOhtAoR
_audit_creation_date            2021-03-25
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW LETTERS"
_citation_journal_volume        103
_citation_page_first            .
_citation_page_last             .
_citation_article_id            267204
_citation_year                  2009
_citation_DOI                   10.1103/PhysRevLett.103.267204

loop_
_citation_author_name
"E. Ressouche"
"V. Simonet"
"B. Canals"
"M. Gospodinov"
"V. Skumryev"

_atomic_positions_source_database_code_ICSD  238979
_atomic_positions_source_other               .

_transition_temperature  244(2)
_experiment_temperature  15

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR1+R2+  2  2  general  primary  8  .

_exptl_crystal_magnetic_properties_details
;
NSD
The paper only gives the positions of the Fe atoms, without cell parameters.
Position structure is taken here from a determination at 293K by a different work.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim (physically irreducible) irrep along a general direction as primary
;

_parent_space_group.name_H-M_alt  'P b a m'
_parent_space_group.IT_number                       55
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,1/2a+1/2b;0,0,0'



_space_group_magn.number_BNS  12.64
_space_group_magn.name_BNS  "C_a 2/m"
_cell_length_a             15.94860
_cell_length_b             16.89400
_cell_length_c             12.01350
_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,-y,z,+1 
3 -x,-y,-z,+1 
4 x,y,-z,+1 

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

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1_1 Fe 0.17855 0.17035 0.25000
Fe1_2 Fe  0.07145 0.42035 0.25000
Fe2_1 Fe 0.00000 0.25000 0.36860
Fe2_2 Fe  0.25000 0.00000 0.63140
Bi1_1 Bi 0.08800 0.08800 0.00000
Bi1_2 Bi  0.16200 0.33800 0.00000
O1_1 O 0.00000 0.00000 0.25000
O1_2 O  0.25000 0.25000 0.25000
O2_1 O 0.18675 0.10930 0.12210
O2_2 O  0.06325 0.35930 0.87790
O3_1 O 0.06870 0.20145 0.25000
O3_2 O  0.18130 0.45145 0.25000
O4_1 O 0.08395 0.22380 0.00000
O4_2 O  0.16605 0.47380 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
_atom_site_moment.magnitude
Fe1_1 -0.62 3.47 0.00000 mx,my,0      3.52(1)
Fe1_2 3.47 0.62 0.00000 mx,my,0       3.52
Fe2_1 -0.99 -3.60 0.00000 mx,my,0     3.73(1)
Fe2_2 -3.60 0.99 0.00000 mx,my,0      3.73
