#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 13/01/2019

data_5yOhtAoR
_audit_creation_date            2019-01-13
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        390
_citation_page_first            21
_citation_page_last             25
_citation_article_id            ?
_citation_year                  2005
_citation_DOI                   10.1016/j.jallcom.2004.08.028

loop_
_citation_author_name
"Z. Ouyang"
"F. Wang"
"Q. Hang"
"W. Liu"
"G. Liu"
"J. Lynn"
"J. Liang"
"G. Rao"




_atomic_positions_source_database_code_ICSD  152582
_atomic_positions_source_other               .

_transition_temperature  240
_experiment_temperature  14

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  3  .
mGM2+  1  1  .  secondary 1 yes


_exptl_crystal_magnetic_properties_details
;
NPD
FM phase
The ferromagnetic ordering at 240K is accompanied with a small strain and a displacement of the Tb atoms that reduce the effective space group to R-3m.  This structural distortion can be explained as an induced magnetostriction effect of the magnetic symmetry break.
The Co site of the cubic parent structure splits into two independent sites, and they have different magnetic moments.
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim irrep active
A spin mode corresponding to a secondary mode (mGM2+) is also present in the spin arrangement. It is responsible of the different values of the magnetic moments of the split Co sites.
;

_parent_space_group.name_H-M_alt  'Fd -3 m'
_parent_space_group.IT_number                       227
_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  '1/2a-1/2c,-1/2a+1/2b,a+b+c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'



_space_group_magn.number_BNS  166.101
_space_group_magn.name_BNS  "R -3 m'"
_cell_length_a             5.08240
_cell_length_b             5.08240
_cell_length_c             12.53510
_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
7 x-y,-y,-z,-1
8 y,x,-z,-1
9 -x,-x+y,-z,-1
10 -x+y,y,z,-1
11 -y,-x,z,-1
12 x,x-y,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
Tb1 Tb 0.00000 0.00000 0.12640
Co1 Co 0.00000 0.00000 0.50000
Co2 Co 0.50000 0.00000 0.00000

loop_
_atom_site_moment.label
_atom_site_moment.crystalaxis_x
_atom_site_moment.crystalaxis_y
_atom_site_moment.crystalaxis_z
_atom_site_moment.symmform
Tb1 0.00000 0.00000 8.30(5) 0,0,mz
Co1 0.00000 0.00000 1.30(4) 0,0,mz
Co2 0.00000 0.00000 1.19(3) mx,2mx,mz
