#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/15/2024 01:48:48
# from a file provided by O. Garlea

data_5yOhtAoR
_audit_creation_date            2024-05-15
_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                    "Co5 Te4 O12 Cl2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. B"
_citation_journal_volume        109
_citation_page_first            .
_citation_page_last             .
_citation_article_id            184106
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevB.109.184106

loop_
_citation_author_name
"B. Yu"
"L. Huang"
"J. S. Li"
"L. Lin"
"V. O. Garlea"
"Q. Zhang"
"T. Zou"
"J. C. Zhang"
"J. Peng"
"Y. S. Tang"
"G. Z. Zhou"
"J. H. Zhang"
"S. H. Zheng"
"M. F. Liu"
"Z. B. Yan"
"X. H. Zhou"
"S. Dong"
"J. G. Wan"
"J.-M. Liu"


_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     18
_experiment_temperature     8

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2- 1 1 . primary 8 .

_exptl_crystal_magnetic_properties_details
;
PND
;

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

_parent_space_group.name_H-M_alt  'C 2/c'
_parent_space_group.IT_number                       15
_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 15.87
_space_group_magn.name_BNS   " C 2'/c"
_space_group_magn.point_group_name  "2'/m"
_space_group_magn.point_group_number  "5.3.14"
_cell_length_a                 19.552359
_cell_length_b                 5.258628
_cell_length_c                 16.364681
_cell_angle_alpha              90
_cell_angle_beta               125.0473
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,-z,-1 
3 -x,y,-z+1/2,-1 
4 x,-y,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y+1/2,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 0.00810 0.22020 0.61680 1
Co2 Co 0.09240 0.21770 0.47530 1
Co3 Co 0.00000 0.23990 0.25000 1
Te1 Te 0.12860 0.31320 0.14090 1
Te2 Te 0.14900 0.29350 0.87820 1
Cl1 Cl 0.24200 0.32200 0.59780 1
O1 O 0.04120 0.16320 0.14270 1
O2 O 0.06600 0.49060 0.36900 1
O3 O 0.07200 0.38890 0.56900 1
O4 O 0.07880 0.01810 0.85550 1
O5 O 0.09880 0.14300 0.02290 1
O6 O 0.11530 0.34440 0.74900 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 2.79(10) -0.80(15) 0.30(13) mx,my,mz 2.75 ? ?
Co2 -3.13(9) 0.42(17) -1.42(15) mx,my,mz 2.62 ? ?
Co3 1.30(9) 0.0 0.11(14) mx,0,mz 1.24 ? ?

