#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/03/2021 

data_5yOhtAoR
_audit_creation_date            2021-03-07
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Physics Letters"
_citation_journal_volume        3
_citation_page_first            178
_citation_page_last             180
_citation_article_id            .
_citation_year                  1963
_citation_DOI                   10.1016/0031-9163(63)90406-2

loop_
_citation_author_name
"E.F. Bertaut"
"J. Coing-Boyat"
"A. Delapalme"

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  12
_experiment_temperature  4.2

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

_exptl_crystal_magnetic_properties_details
;
NPD
So-called beta-modification
Non-standard setting Pbnm of the parent space group
Position structure from a room temperature determination.
Only the square of the Co moment cosine directors were determined. There are four distinct possible combinations of signs for the three components, which are NOT equivalent, neither from the symmetry nor from the physical viewpoint. Their absolute values were taken arbitrarily as positive. 
See #0.96 for another determination of this phase at the same temperature with quite a different moment.
;

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

_parent_space_group.name_H-M_alt  'P b n m'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'b,c,a;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  'b,c,a;0,0,0'



_space_group_magn.number_BNS  62.441
_space_group_magn.name_BNS  "P n m a"
_cell_length_a             4.73900
_cell_length_b             8.61600
_cell_length_c             6.70200
_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+1/2,y+1/2,-z+1/2,+1 
3 -x,-y,z+1/2,+1 
4 x+1/2,-y+1/2,-z,+1 
5 -x,-y,-z,+1 
6 x+1/2,-y+1/2,z+1/2,+1 
7 x,y,-z+1/2,+1 
8 -x+1/2,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
Co1 Co 0.00000 0.00000 0.00000
S1 S 0.95800 0.31400 0.75000
O1 O 0.25000 0.37000 0.75000
O2 O 0.95800 0.13300 0.75000
O3 O 0.31900 0.13000 0.06100

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 2.72 1.93 1.86 mx,my,mz   3.82(10)


