#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 09/05/2020


data_5yOhtAoR
_audit_creation_date            2020-05-09
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Solid State Chemistry"
_citation_journal_volume        270
_citation_page_first            147
_citation_page_last             155
_citation_article_id            ?
_citation_year                  2019
_citation_DOI                   10.1016/j.jssc.2018.11.007

loop_
_citation_author_name
"M. Poupon"
"N. Barrier"
"A. Pautrat"
"S. Petit"
"O. Perez"
"P. Bazin"



_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  75.5
_experiment_temperature  1.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4  1  1  .  primary  3  .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at room temperature
Some features of the figure in the original reference are inconsistent with the moment components of the Fe site in the text. The text values have been assumed to be correct.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 6_3 m c'
_parent_space_group.IT_number                       186
_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  186.206
_space_group_magn.name_BNS  "P 6_3' m c'"
_cell_length_a             13.16400
_cell_length_b             13.16400
_cell_length_c             5.03210
_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,y,z,+1
5 -y,-x,z,+1
6 x,x-y,z,+1
7 x-y,x,z+1/2,-1
8 -x,-y,z+1/2,-1
9 y,-x+y,z+1/2,-1
10 -x,-x+y,z+1/2,-1
11 x-y,-y,z+1/2,-1
12 y,x,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 0.56925 0.64487 0.05364 1.
Te1 Te 0.85518 0.14482 0.00000 1.
Te2 Te 0.33333 0.66667 0.09040 1.
O1 O 0.79163 0.20837 0.76080 1.
O2 O 0.66570 0.94120 0.71930 1.
O3 O 0.59584 0.40416 0.40500 1.
O4 O 0.52617 0.47383 0.87520 1.
H1 H 0.88590 0.11410 0.00040 1.
O5 O 0.00000 0.00000 0.71700 1.
O6 O 0.88050 0.94020 0.00300 0.29

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Co1 0.5(1) 0.78(7) 2.90(2) mx,my,mz


