#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:00:38
# Database entry: 0.138 BiCrO3
# Cif-like file for the case 0.138


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Bi Cr O3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Solid State Sciences"
_citation_journal_volume        12
_citation_page_first            660
_citation_page_last             664
_citation_article_id            .
_citation_year                  2010
_citation_DOI                   10.1016/j.solidstatesciences.2008.12.004

loop_
_citation_author_name
"C. Darie"
"C. Goujon"
"M. Bacia"
"H. Klein"
"P. Toulemonde"
"P. Bordet"
"E. Suard"






_atomic_positions_source_database_code_ICSD   174405
_atomic_positions_source_other               .

_transition_temperature     114
_experiment_temperature     90

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: equivalent to MSG assignment
No canting is symmetry-allowed for Cr2
Ferrimagnetic along b
;

_parent_space_group.name_H-M_alt  'C  2/c'
_parent_space_group.IT_number                       15
_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  15.85
_space_group_magn.name_BNS  "C  2/c"
_space_group_magn.point_group_name  "2/m"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 9.45400
_cell_length_b                 5.47520
_cell_length_c                 9.57710
_cell_angle_alpha              90.00
_cell_angle_beta               108.55
_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+1/2,+1
3 -x,-y,-z,+1
4 x,-y,z+1/2,+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

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 0.13310 0.21660 0.13130 1
Cr1 Cr 0.25000 0.25000 0.50000 1
Cr2 Cr 0.00000 0.76300 0.25000 1
O1 O 0.08600 0.20400 0.58690 1
O2 O 0.15520 0.52300 0.36430 1
O3 O 0.35820 0.52600 0.15900 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
Cr1 0.0 -2.04(8) 0.0 mx,my,mz
Cr2 0.0 2.04 0.0 0,my,0

