#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/04/2020

data_5yOhtAoR
_audit_creation_date            2020-04-12
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "J. Phys. C: Solid State Phys."
_citation_journal_volume        16
_citation_page_first            2765
_citation_page_last             2778
_citation_article_id            ?
_citation_year                  1983
_citation_DOI                   10.1088/0022-3719/16/14/016

loop_
_citation_author_name
"S.S.P. Parkin"
"E.A. Marseglia"
"P.J. Brown"



_atomic_positions_source_database_code_ICSD  53016
_atomic_positions_source_other               .

_transition_temperature  25
_experiment_temperature  4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM4  3  1  .  primary  1  .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a dtermination at room temperature
Modulus of the Co moment: 2.60(5)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim small irrep primary (irrep star has three vectors)
Altermative multi-k models are not discussed in the original reference
The orientation on the spins on the ab plane could not be determined from the data. Here we have assumed one of the two possible physically distinct orientations that have maximal symmetry. Another orientation of maximal symmetry corresponds to a second MSG of the same type, which forces the spin directions along b.
;

_parent_space_group.name_H-M_alt  'P 6_3 2 2'
_parent_space_group.IT_number                       182
_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,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,c,a;1/4,0,1/4'



_space_group_magn.number_BNS  18.22
_space_group_magn.name_BNS  "P_B 2_12_12"
_cell_length_a             9.95760
_cell_length_b             5.74900
_cell_length_c             11.88600
_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
3 -x+1/2,-y+1/2,z+1/2,+1
4 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+1/2,z,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co1 Co 0.16667 0.50000 0.25000
Nb1 Nb 0.00000 0.00000 0.00000
Nb2 Nb 0.16667 0.50000 0.99440
S1_1 S 0.16610 0.83480 0.36940
S1_2 S 0.99955 0.33175 0.36940
S1_3 S 0.83435 0.83345 0.36940

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 2.60(5) 0.00000 0.00000 mx,0,0

