#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 20/11/2020

data_5yOhtAoR
_audit_creation_date            2020-11-20
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        91
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094420
_citation_year                  2015
_citation_DOI                   10.1103/PhysRevB.91.094420

loop_
_citation_author_name
"S.F. Jin"
"Q. Huang"
"Z.P. Lin"
"Z.L. Li"
"X.Z. Wu"
"T.P. Ying"
"G. Wang"
"X.L. Chen"



_atomic_positions_source_database_code_ICSD  241435
_atomic_positions_source_other               .

_transition_temperature  40
_experiment_temperature  6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM3  3  1  .  primary  2   .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep as primary
The irrep star has 3 k-vectors, allowing alternative multi-k arrangements for the same irrep.
;

_parent_space_group.name_H-M_alt  'P 6_3 m c'
_parent_space_group.IT_number                       186
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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



_space_group_magn.number_BNS  29.109
_space_group_magn.name_BNS  "P_C c a 2_1"
_cell_length_a             7.50330
_cell_length_b             7.50330
_cell_length_c             11.38460
_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+1/2,z+1/2,+1
3 y,x,z+1/2,+1
4 -y+1/2,-x,z,+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
3 x+1/2,y,z,-1
4 x,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
Ca1 Ca 0.16667 0.33333 0.26650
O1 O 0.00000 0.00000 0.33470
Fe1 Fe 0.00000 0.00000 0.00000
S1 S 0.16667 0.33333 0.59000

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
Fe1 0.00000 0.00000 2.59(3) mx,-mx,mz 2.59(3)

