#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 03/29/2024

data_5yOhtAoR
_audit_creation_date            2024-03-29
_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 Te6 O13"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Nature Communications"
_citation_journal_volume        14
_citation_page_first            .
_citation_page_last             .
_citation_article_id            8034
_citation_year                  2023
_citation_DOI                   10.1038/s41467-023-43858-z

loop_
_citation_author_name
"X. Xu"
"Y. Hao"
"S. Peng"
"Q. Zhang"
"D. Ni"
"C. Yang"
"X. Dai"
"H. Cao"
"R. J. Cava"

_temperature_position_structure         290
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     19.1(1)
_experiment_temperature     5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NSD
Magnetoelectric
The unit cell origin in the figure of the article is shifted 1/2 along z with respect to the structure described in the supplemental material. Here the origin of the figure is used.
;

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

_parent_space_group.name_H-M_alt  'R -3'
_parent_space_group.IT_number                       148
_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  148.19
_space_group_magn.name_BNS  "R -3'"
_space_group_magn.point_group_name  "-3'"
_space_group_magn.point_group_number  "17.3.64"
_cell_length_a                 10.15930
_cell_length_b                 10.15930
_cell_length_c                 18.97390
_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,-z,-1 
5 y,-x+y,-z,-1 
6 x-y,x,-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
Te1 Te 0.82098 0.57032 0.23853 1
Te2 Te 0.60412 0.50376 0.92402 1
Co1 Co 0.00000 0.00000 0.74394 1
O1 O 0.00000 0.00000 0.91160 1
O2 O 0.74975 0.54145 0.14363 1
O3 O 0.61543 0.47555 0.01820 1
O4 O 0.80003 0.51626 0.89883 1
O5 O 0.66347 0.58736 0.28976 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 4.4(1) 0,0,mz 4.4(1) ? ?

