#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 30/03/2020

data_5yOhtAoR
_audit_creation_date            2020-03-30
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        95
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            235129
_citation_year                  2017
_citation_DOI                   10.1103/PhysRevB.95.235129

loop_
_citation_author_name
"J. Herrero-Martn"
"J. Padilla-Pantoja"
"S. Lafuerza"
"A. Romaguera"
"F. Fauth"
"J.S. Reparaz"
"J.L. Garcia-Munoz"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  41
_experiment_temperature  5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT3  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 300K, except for the unit cell parameters and the coordinate of Co3
;

_active_magnetic_irreps_details
;
1k magnetic structure
2-dim irrep along a special direction as primary
Secondary irreps are not allowed, in contrast with the other possible epikernel of the active primary irrep (see #1.343)
Another model with MSG corresponding to the other possible epikernel of the primary irrep fits a bit better the data (see entry #1.343), probably because in this case the MSG allows an additional mz canting corresponding to a secondary irrep. The two models differ by the orientation of the moments on the ab basal plane. The data is unsensitive to the spin orientation on the basal plane.
;

_parent_space_group.name_H-M_alt  'R -3 m'
_parent_space_group.IT_number                       166
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 3/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/3a+2/3b-2/3c,-a,c;0,0,0'



_space_group_magn.number_BNS  12.63
_space_group_magn.name_BNS  "C_c 2/m"
_cell_length_a             5.6928(4)
_cell_length_b             5.6928
_cell_length_c             57.7200(2)
_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-y,-y,-z,+1
3 -x,-y,-z,+1
4 -x+y,y,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z+1/3,+1
3 x+2/3,y+1/3,z+2/3,+1
4 x,y,z+1/2,-1
5 x+1/3,y+2/3,z+5/6,-1
6 x+2/3,y+1/3,z+1/6,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co1 Co 0.00000 0.00000 0.29420
Co2 Co 0.00000 0.00000 0.25000
Co3 Co 0.00000 0.00000 0.1164
Co4_1 Co 0.50000 0.00000 0.00000
Co4_2 Co  0.00000 0.50000 0.00000
Co5 Co 0.00000 0.00000 0.00000
Ba1 Ba 0.00000 0.00000 0.44175
O1_1 O 0.15060 0.84940 0.22815
O1_2 O  0.15060 0.30120 0.22815
O2 O 0.00000 0.00000 0.34980
O3_1 O 0.48510 0.51490 0.14770
O3_2 O  0.48510 0.97020 0.14770

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co3 2.88(7) 0.0 0.0 mx,0,0
Co5 1.76(5) 0.0 0.0 mx,0,0

