#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/20/2022

data_5yOhtAoR
_audit_creation_date            2022-09-20
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    "Co3 Sn2 S2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        105
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094435
_citation_year                  2022
_citation_DOI                   10.1103/PhysRevB.105.094435

loop_
_citation_author_name
"J.  R. Soh"
"C. Yi"
"I. Zivkovic"
"N. Qureshi"
"A. Stunault"
"B. Ouladdiaf"
"J. Alberto Rodriguez-Velamazan"
"Y. Shi"
"H. M. Ronnow"
"A. T. Boothroyd"

_temperature_position_structure         120
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  173762
_atomic_positions_source_other               .

_transition_temperature     177
_experiment_temperature     150

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD and SPN(Spherical neutron polarimetry)
Position structure not provided. Here a structural model determined at 120K by another study is used.
FM along c
Ferromagnet
;

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

_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 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  166.101
_space_group_magn.name_BNS  "R -3 m'"
_space_group_magn.point_group_name  "-3m'"
_space_group_magn.point_group_number  "20.5.75"
_cell_length_a                 5.35890
_cell_length_b                 5.35890
_cell_length_c                 13.14100
_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 -y,x-y,z,+1 
3 -x+y,-x,z,+1 
4 -x,-y,-z,+1 
5 y,-x+y,-z,+1 
6 x-y,x,-z,+1 
7 x-y,-y,-z,-1 
8 y,x,-z,-1 
9 -x,-x+y,-z,-1 
10 -x+y,y,z,-1 
11 -y,-x,z,-1 
12 x,x-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+2/3,+1 
3 x+2/3,y+1/3,z+1/3,+1 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sn1 Sn 0.00000 0.00000 0.00000 1
Sn2 Sn 0.00000 0.00000 0.50000 1
Co1 Co 0.50000 0.00000 0.50000 1
S1 S 0.00000 0.00000 0.28290 1

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
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
Co1 0.0 0.0 0.22(4) mx,2mx,mz 0.22(4) ? ?

