#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/24/2023
# From a mCIF file accompanying the paper as supplemental material

data_5yOhtAoR
_audit_creation_date            2023-10-24
_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                    "Na2 Co2 Te O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        108
_citation_page_first            .
_citation_page_last             .
_citation_article_id            064405
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevB.108.064405

loop_
_citation_author_name
"E. Dufault"
"F. Bahrami"
"A. Streeter"
"X. Yao"
"E. Gonzalez"
"Q. Zhang"
"F. Tafti"

_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     11
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mV1- 2 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep 
The active irrep has 2 k-vectors in its star:(1/2,1/2,0) and (-1/2,1/2,0). Possible 2k spin arrangements involving the two k-vectors of the irrep, which could equally fit the data, are not mentioned.
;

_parent_space_group.name_H-M_alt  'C 2/m'
_parent_space_group.IT_number                       12
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/2 1/2 0]

_parent_space_group.child_transform_Pp_abc  '2a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'c,-1/4a+1/4b,-1/2a-1/2b;1/8,1/8,0'


_space_group_magn.number_BNS  2.7
_space_group_magn.name_BNS  "P_S -1"
_space_group_magn.point_group_name  "-1.1'"
_space_group_magn.point_group_number  "2.2.4"
_cell_length_a                 10.65630
_cell_length_b                 18.38770
_cell_length_c                 5.76980
_cell_angle_alpha              90.00
_cell_angle_beta               108.95
_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+1/4,-y+1/4,-z,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/4,y+3/4,z,+1 
3 x+1/2,y+1/2,z,+1 
4 x+3/4,y+1/4,z,+1 
5 x+3/4,y+3/4,z,-1 
6 x,y+1/2,z,-1 
7 x+1/4,y+1/4,z,-1 
8 x+1/2,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
_atom_site_adp_type
_atom_site_U_iso_or_equiv
Co1 Co 0.00000 0.33747 0.00000 1.0 Uiso 0.0167
Te1 Te 0.00000 0.00000 0.00000 1.0 Uiso 0.0002
Na1 Na 0.00000 0.25000 0.50000 0.6 Uiso 0.0050
Na2 Na 0.00000 0.41326 0.50000 0.7 Uiso 0.0050
O1_1 O 0.13939 0.17276 0.80228 1.0 Uiso 0.0036
O1_2 O 0.86062 0.17276 0.19772 1.0 Uiso 0.0036
O2 O 0.38091 0.00000 0.19284 1.0 Uiso 0.0139

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 0.48(15) 1.50(15) 1.18(16) mx,my,mz 1.83 ? ?

