#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/23/2021

data_5yOhtAoR
_audit_creation_date            2021-10-23
_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                    "Ga V4 S8"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        33
_citation_page_first            .
_citation_page_last             .
_citation_article_id            255802
_citation_year                  2021
_citation_DOI                   10.1088/1361-648X/abf9bb

loop_
_citation_author_name
"S. J. R. Holt"
"C. Ritter"
"M. R. Lees"
"G. Balakrishnan"

_temperature_position_structure         4.2
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  158199
_atomic_positions_source_other               .

_transition_temperature     6
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure is not reported. Here it is used one from a study at 4.2K, retrieved from the ICSD.
Above 6K and up to 13K an incommensurate structure is reported.
FM along c
;

_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                       160
_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  160.67
_space_group_magn.name_BNS  "R 3 m' "
_space_group_magn.point_group_name  "3m'"
_space_group_magn.point_group_number  "19.3.70"
_cell_length_a                 6.80000
_cell_length_b                 6.80000
_cell_length_c                 16.80230
_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,y,z,-1 
5 -y,-x,z,-1 
6 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
Ga1 Ga 0.00000 0.00000 0.00000 1
V1 V 0.00000 0.00000 0.39100 1
V2 V 0.86034 0.13966 0.53467 1
S1 S 0.00000 0.00000 0.62980 1
S2 S 0.17080 0.82920 0.45450 1
S3 S 0.00000 0.00000 0.13530 1
S4 S 0.84804 0.15196 0.28557 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
V1 0.0 0.0 0.23(2) 0,0,mz 0.23(2) ? ?
V2 -0.079(8) 0.079(8) 0.17(1) mx,-mx,mz 0.22(1) ? ?

