#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/17/2025 

data_5yOhtAoR
_audit_creation_date            2025-05-17
_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                    "Ca1 Co2 Te1 O6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        111
_citation_page_first            .
_citation_page_last             .
_citation_article_id            094434
_citation_year                  2025
_citation_DOI                   10.1103/PhysRevB.111.094434

loop_
_citation_author_name
"Xing Huang"
"Peiyue Ma"
"Mengwu Huo"
"Chaoxin Huang"
"Hualei Sun"
"Xiang Chen"
"Sihao Deng"
"Lunhua He"
"Tao Xie"
"Zhangzhen He"
"Meng Wang"

_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     14.4
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1+ 1 1 . primary 6 .

_exptl_crystal_magnetic_properties_details
;
NPD
Between 16.2K qnd 14.4K another magnetic phase with k different from zero and undetermined structure is observed.
;

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

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_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  62.441
_space_group_magn.name_BNS  "P n m a"
_space_group_magn.point_group_name  "mmm"
_space_group_magn.point_group_number  "8.1.24"
_cell_length_a                 9.26760
_cell_length_b                 8.98040
_cell_length_c                 10.88350
_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+1/2,+1 
3 -x,y+1/2,-z,+1 
4 -x+1/2,-y,z+1/2,+1 
5 -x,-y,-z,+1 
6 -x+1/2,y+1/2,z+1/2,+1 
7 x,-y+1/2,z,+1 
8 x+1/2,y,-z+1/2,+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 0.58389 0.59078 0.89281 0.983
Co2 Co 0.56806 0.90886 0.39259 0.956
Te1 Te 0.58480 0.25000 0.89670 0.911
Te2 Te 0.56020 0.25000 0.37590 0.927
Ca1 Ca 0.75913 0.04769 0.65451 1.
O1 O 0.59720 0.25000 0.55290 0.934
O2 O 0.62234 0.40860 0.00887 0.941
O3 O 0.30152 0.59185 0.65604 0.973
O4 O 0.38940 0.25000 0.95730 0.964
O5 O 0.53192 0.09170 0.78103 0.966
O6 O 0.77830 0.25000 0.83080 0.957
O7 O 0.57315 0.90670 0.58130 0.957
O8 O 0.49550 0.25000 0.21440 0.97

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 0.23(8) -1.53(4) 3.03(2) mx,my,mz 3.4(1) ? ?
Co2 0.44(8) 1.08(3) 1.84(1) mx,my,mz 2.1(1) ? ?

