#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/31/2026

data_5yOhtAoR
_audit_creation_date            2026-03-31
_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 Te1 Mo1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW MATERIALS"
_citation_journal_volume        9
_citation_page_first            .
_citation_page_last             .
_citation_article_id            104412
_citation_year                  2025
_citation_DOI                   10.1103/vqnq-rb68

loop_
_citation_author_name
"Chetan Dhital"
"Chaebin Kim"
"Brady Wilson"
"Ram Rai"
"Matthew Stone"
"Daniel Pajerowski"
"Yiqing Hao"
"Rafael Gonzalez-Hernandez"
"Jonathan Guerrero Sanchez"
"Eun Sang Choi"
"John Bacsa"
"Martin M. Mourigal"

_temperature_position_structure         150
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  117873
_atomic_positions_source_other               .

_transition_temperature     24.8
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 150K retrieved from the ICSD  
;

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

_parent_space_group.name_H-M_alt  'P 2_1 2_1 2'
_parent_space_group.IT_number                       18
_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  18.19
_space_group_magn.name_BNS  "P 2_1 2_1' 2'"
_space_group_magn.point_group_name  "2'2'2"
_space_group_magn.point_group_number  "6.3.19"
_cell_length_a                 5.23120
_cell_length_b                 5.05500
_cell_length_c                 8.80790
_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+1/2,y+1/2,-z,-1 
4 -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 0.47431 1
Te1 Te 0.00000 0.50000 0.74660 1
Mo1 Mo 0.00000 0.50000 0.19268 1
O1 O 0.71000 0.15320 0.92450 1
O2 O 0.81650 0.23820 0.29550 1
O3 O 0.82350 0.27910 0.60860 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 0.7(4) 3.6(1) 0.0 mx,my,0 3.67 ? ?

