#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 19/02/2021 

data_5yOhtAoR
_audit_creation_date            2021-02-19
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        102
_citation_page_first            .
_citation_page_last             .
_citation_article_id            174443
_citation_year                  2020
_citation_DOI                   10.1103/PhysRevB.102.174443

loop_
_citation_author_name
"L. Ding"
"M. Lee"
"T. Hong"
"Z. Dun"
"R. Sinclair"
"S. Chi"
"H. K. Agrawal"
"E. S. Choi"
"B. C. Chakoumakos"
"H. Zhou"
"H. Cao"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  27
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3-  2  2  special  primary  4  .
mGM1-  1  1  .   secondary 2 no


_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 50K
The two Co independent sites have been constrained to have equal moment magnitudes
See entries #0.111 and #0.196 and #0.197 for different structures of the same phase. The second and third structures have the same MSG as this one but they differ considerably.
Linear magnetolectric
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary.
A secondary 1-dim irrep distortion (mz canting) is symmetry allowed but it is not present, in contrast with the model reported in 2016 (see #0.196).
The basis employed here and the one used in #0.196 are related by the transformation: -a,-b,c:0,0,1/2
;

_parent_space_group.name_H-M_alt  'P -3 c 1'
_parent_space_group.IT_number                       165
_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  '2a+b,b,c;0,0,0'



_space_group_magn.number_BNS  15.88
_space_group_magn.name_BNS  "C 2/c'"
_cell_length_a             5.18000
_cell_length_b             5.18000
_cell_length_c             14.16300
_cell_angle_alpha          90.00
_cell_angle_beta           90.00
_cell_angle_gamma          120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-x+y,-z+1/2,+1 
3 -x,-y,-z,-1 
4 x,x-y,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
Co1 Co 0.33333 0.66667 0.01800
Co2 Co 0.33333 0.66667 0.80680
Nb1 Nb 0.00000 0.00000 0.35720
O1_1 O 0.29600 0.00000 0.25000
O1_2 O  0.00000 0.29600 0.25000
O2_1 O 0.34600 0.30300 0.08420
O2_2 O  0.69700 0.04300 0.08420
O2_3 O  0.95700 0.65400 0.08420

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
Co1 3.201(8) 2.12(1) 0.0 mx,my,mz  2.820(8)
Co2 3.201 2.12 0.0 mx,my,mz        2.820

