#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 27/08/2021 

data_5yOhtAoR
_audit_creation_date            2021-08-27
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Inorg. Chem."
_citation_journal_volume        55
_citation_page_first            1697
_citation_page_last             1701
_citation_article_id            .
_citation_year                  2016
_citation_DOI                   10.1021/acs.inorgchem.5b02615

loop_
_citation_author_name
"E. J. T. Salter"
"J. N. Blandy"
"S. J. Clarke"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  ?
_experiment_temperature  3.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM1  1  1  .  primary  1   .

_exptl_crystal_magnetic_properties_details
;
NPD
Transition temperature is not given.
The original reference assigned an incorrect lower symmetry. The MSG of the structure is here corrected. 
See #1.573 for a similar model of this phase, where the MSG was corrected, and with a rather different moment magnitude.
;

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

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 0 0]

_parent_space_group.child_transform_Pp_abc  '2a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;7/8,1/4,0'

_space_group_magn.number_BNS  57.386
_space_group_magn.name_BNS  "P_a b c m"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a             7.9477(8)
_cell_length_b             12.6976(1)
_cell_length_c             6.07894(6)
_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,-z,+1 
3 -x+3/4,y+1/2,-z+1/2,+1 
4 -x+3/4,-y+1/2,z+1/2,+1 
5 -x+3/4,-y+1/2,-z,+1 
6 -x+3/4,y+1/2,z,+1 
7 x,-y,z+1/2,+1 
8 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,z,-1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 Ba 0.00000 0.3866(1) 0.25000
Co1 Co 0.00000 0.0954(2) 0.25000
S1 S 0.00000 0.6912(2) 0.25000
O1 O 0.00000 0.00000 0.00000

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 0.00000 0.00000 2.75(2) 0,0,mz  2.75(2)

