#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/05/2021 

data_5yOhtAoR
_audit_creation_date            2021-05-09
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. Soc. Jpn"
_citation_journal_volume        60
_citation_page_first            2406
_citation_page_last             2414
_citation_article_id            .
_citation_year                  1991
_citation_DOI                   10.1143/JPSJ.60.2406

loop_
_citation_author_name
"K. Yamada"
"K. Takada"
"S. Hosoya"
"Y. Watanabe"
"Y. Endoh"
"N. Tomonaga"
"T. Suzuki"
"T. Ishigaki"
"T. Kamiyama"
"H. Asano"
"F. Izumi"

_atomic_positions_source_database_code_ICSD  71313
_atomic_positions_source_other               .

_temperature_position_structure         293
_temperature_atom_positions             .              
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_transition_temperature  42
_experiment_temperature  10

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5-  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD and NSD
Position structure from a determination at room temperature
See #0.348 and #0.694 for a rather different model of this structure with the spins along c.
See Zhao et al., Phys. Rev. 96, 054424 (2017) for polarized neutron scattering measurements supporting this model.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
Linear ME is symmetry allowed
;

_parent_space_group.name_H-M_alt  'P 4/n c c'
_parent_space_group.IT_number                       130
_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  'b,-a,c;1/2,0,0'

_space_group_magn.number_BNS  56.367
_space_group_magn.name_BNS  "P c' c n"
_cell_length_a             8.50190
_cell_length_b             8.50190
_cell_length_c             5.81960
_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+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+1/2,-y,-z+1/2,-1 
6 -x+1/2,-y+1/2,z,-1 
7 -x,-y,-z,-1 
8 x,-y+1/2,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
Bi1 Bi 0.58138 0.41862 0.25000
Cu1 Cu 0.25000 0.25000 0.92100
O1_1 O 0.45052 0.35800 0.90910
O1_2 O  0.14200 0.45052 0.90910

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
Cu1 0.85(5) 0.00000 0.00000 mx,my,0  0.85(5)

