#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/10/2024

data_5yOhtAoR
_audit_creation_date            2024-11-10
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Bi1 Co1 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Chem. Mater."
_citation_journal_volume        18
_citation_page_first            798
_citation_page_last             803
_citation_article_id            .
_citation_year                  2006
_citation_DOI                   10.1021/cm052334z

loop_
_citation_author_name
"A. A. Belik"
"S. Iikubo"
"K. Kodama"
"N. Igawa"
"S.-I Shamoto"
"S. Niitaka"
"M. Azuma"
"Y. Shimakawa"
"M. Takano"
"F. Izumi"
"E. Takayama-Muromachi"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     470
_experiment_temperature     450

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM2 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 4 m m'
_parent_space_group.IT_number                       99
_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 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/2a+1/2b,-1/2a+1/2b,c;1/4,1/4,0'


_space_group_magn.number_BNS  100.177
_space_group_magn.name_BNS  "P_C 4 b m"
_space_group_magn.point_group_name  "4mm.1'"
_space_group_magn.point_group_number  "13.2.45"
_cell_length_a                 7.47594
_cell_length_b                 7.47594
_cell_length_c                 4.73306
_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 -y+1/2,x,z,+1 
3 y,-x+1/2,z,+1 
4 -x+1/2,-y+1/2,z,+1 
5 -y+1/2,-x,z,+1 
6 y,x+1/2,z,+1 
7 x,-y,z,+1 
8 -x+1/2,y+1/2,z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,z,+1 
3 x,y+1/2,z,-1 
4 x+1/2,y,z,-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 Bi 0.00000 0.00000 0.00000 1
Co1 Co 0.25000 0.25000 0.5663 1
O1 O 0.25000 0.25000 0.2064 1
O2 O 0.25000 0.00000 0.7311 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Co1 0.0 0.0 1.99(2) 0,0,mz 1.99(2) ? ?

