#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/24/2022

data_5yOhtAoR
_audit_creation_date            2022-11-24
_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                    "Y1 Cr0.5 Fe0.5 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        101
_citation_page_first            .
_citation_page_last             .
_citation_article_id            014415
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.101.014415

loop_
_citation_author_name
"J. Y. Yang"
"X. D. Shen"
"V. Pomjakushin"
"L. Keller"
"E. Pomjakushina"
"Y. W. Long"
"M. Kenzelmann"

_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     260
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 3 .
mGM1+ 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
Two irreps as primary irreps. This implies that two distinct order parameters in the Landau sense are involved.
The moment values are given as an average for the shared Cr/Fe site. Here due to the format used, they are assigned separately to both atomic species.
The MSG is non-polar and therefore magnetic induced ferroelecticity is not symmetry allowed.
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  11.50
_space_group_magn.name_BNS  "P 2_1/m"
_space_group_magn.point_group_name  "2/m"
_space_group_magn.point_group_number  "5.1.12"
_cell_length_a                 5.55430
_cell_length_b                 7.55750
_cell_length_c                 5.25430
_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 
3 -x,-y,-z,+1 
4 x,-y+1/2,z,+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
_atom_site_occupancy
Y1_1 Y 0.06820 0.25000 0.98220 1.
Y1_2 Y 0.43180 0.75000 0.48220 1.
Cr1_1 Cr 0.00000 0.00000 0.50000 0.5
Cr1_2 Cr 0.50000 0.00000 0.00000 0.5
Fe1_1 Fe 0.00000 0.00000 0.50000 0.5
Fe1_2 Fe 0.50000 0.00000 0.00000 0.5
O1_1 O 0.46170 0.25000 0.10870 1.
O1_2 O 0.03830 0.75000 0.60870 1.
O2_1 O 0.30270 0.05570 0.69240 1.
O2_2 O 0.19730 0.94430 0.19240 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
Cr1_1 -1.28(2) 0.0 3.12(1) mx,my,mz ? ? ?
Cr1_2 1.28(2) 0.0 -3.12(1) mx,my,mz ? ? ?
Fe1_1 -1.28(2) 0.0 3.12(1) mx,my,mz ? ? ?
Fe1_2 1.28(2) 0.0 -3.12(1) mx,my,mz ? ? ?

