#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 07/28/2025

data_5yOhtAoR
_audit_creation_date            2025-07-28
_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                    "Co1 Nb4 Se8"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Nature Communications"
_citation_journal_volume        16
_citation_page_first            .
_citation_page_last             .
_citation_article_id            4399
_citation_year                  2025
_citation_DOI                   10.1038/s41467-025-58642-4

loop_
_citation_author_name
"Resham Babu Regmi"
"Hari Bhandari"
"Bishal Thapa"
"Yiqing Hao"
"Nileema Sharma"
"James McKenzie"
"Xinglong Chen"
"Abhijeet Nayak"
"Mohamed El Gazzah"
"Bence G. Markus"
"Laszlo Forro"
"Xiaolong Liu"
"Huibo Cao"
"J. F. Mitchell"
"Igor I. Mazin"
"Nirmal J. Ghimire"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    295
_temperature_cell_parameters            5

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     168
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Atomic positions from a determination at 295K, cell parameters from the experiment at 5K
;

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

_parent_space_group.name_H-M_alt  'P 6_3/m m c'
_parent_space_group.IT_number                       194
_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  194.268
_space_group_magn.name_BNS  "P 6_3'/m' m' c"
_space_group_magn.point_group_name  "6'/m'mm'"
_space_group_magn.point_group_number  "27.5.104"
_cell_length_a                 6.90400
_cell_length_b                 6.90400
_cell_length_c                 12.32100
_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,x-y,-z+1/2,+1 
5 -x+y,y,-z+1/2,+1 
6 -y,-x,-z+1/2,+1 
7 -x,-y,-z,+1 
8 y,-x+y,-z,+1 
9 x-y,x,-z,+1 
10 -x,-x+y,z+1/2,+1 
11 x-y,-y,z+1/2,+1 
12 y,x,z+1/2,+1 
13 x-y,x,z+1/2,-1 
14 -x,-y,z+1/2,-1 
15 y,-x+y,z+1/2,-1 
16 x-y,-y,-z,-1 
17 y,x,-z,-1 
18 -x,-x+y,-z,-1 
19 -x+y,-x,-z+1/2,-1 
20 x,y,-z+1/2,-1 
21 -y,x-y,-z+1/2,-1 
22 -x+y,y,z,-1 
23 -y,-x,z,-1 
24 x,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
Co1 Co 0.00000 0.00000 0.00000 1
Nb1 Nb 0.00000 0.00000 0.25000 1
Nb2 Nb 0.50790 0.01580 0.25000 1
Se1 Se 0.83158 0.66316 0.61719 1
Se2 Se 0.33333 0.66667 0.89013 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 1.4(1) 0,0,mz 1.4(1) ? ?

