#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 04/03/2026

data_5yOhtAoR
_audit_creation_date            2026-04-03
_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                    "Ce2 Sn1 S5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        112
_citation_page_first            .
_citation_page_last             .
_citation_article_id            184430
_citation_year                  2025
_citation_DOI                   10.1103/xv8k-812w

loop_
_citation_author_name
"Maximilien F. Debbas"
"Takehito Suzuki"
"Danielle R. Yahne"
"Joseph G. Checkelsky"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     1.2
_experiment_temperature     0.3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM3 2 1 special primary 4 .
mGM1- 1 1 . secondary 2 yes

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction as primary
1-dim irrep symmetry allowed as secondary and present. It is a third order harmonic
;

_parent_space_group.name_H-M_alt  'P  b  a  m'
_parent_space_group.IT_number                       55
_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  '3a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/6,0,0'


_space_group_magn.number_BNS  55.359
_space_group_magn.name_BNS  "P b' a' m'"
_space_group_magn.point_group_name  "m'm'm'"
_space_group_magn.point_group_number  "8.5.28"
_cell_length_a                 23.56890
_cell_length_b                 11.22190
_cell_length_c                 3.95630
_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+5/6,y+1/2,-z,+1 
4 -x+1/3,-y,z,+1 
5 -x+1/3,-y,-z,-1 
6 -x+5/6,y+1/2,z,-1 
7 x+1/2,-y+1/2,z,-1 
8 x,y,-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
_atom_site_occupancy
Ce1_1 Ce 0.02324 0.33084 0.50000 1
Ce1_2 Ce 0.97676 0.66916 0.50000 1
Ce1_3 Ce 0.14342 0.83084 0.50000 1
Sn1_1 Sn 0.00000 0.00000 0.00000 1
Sn1_2 Sn 0.16667 0.50000 0.00000 1
S1_1 S 0.06217 0.07225 0.50000 1
S1_2 S 0.93783 0.92775 0.50000 1
S1_3 S 0.10450 0.57225 0.50000 1
S2_1 S 0.11768 0.29875 0.00000 1
S2_2 S 0.88232 0.70125 0.00000 1
S2_3 S 0.04898 0.79875 0.00000 1
S3_1 S 0.00000 0.50000 0.00000 1
S3_2 S 0.16667 0.00000 0.00000 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
Ce1_1 0.20(3) 1.250(10) 0.0 mx,my,0 1.265 ? ?
Ce1_2 0.84(2) -0.946(19) 0.0 mx,my,0 1.265 ? ?
Ce1_3 -0.35(3) -1.215(11) 0.0 mx,my,0 1.265 ? ?

