#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/01/2019


data_5yOhtAoR
_audit_creation_date            2019-01-11
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        73
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064413
_citation_year                  2006
_citation_DOI                   10.1103/PhysRevB.73.064413

loop_
_citation_author_name
"Y.G. Xiao"
"Q. Huang"
"Z.W. Ouyang"
"F.W. Wang"
"J.W. Lynn"
"J.K. Liang"
"G.H. Rao"




_atomic_positions_source_database_code_ICSD  155467
_atomic_positions_source_other               .

_transition_temperature  173
_experiment_temperature  50

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  8  .
mGM2+  1  1    .      secondary 1  yes
mGM3+  2  2   special  secondary 1  yes
mGM5+  3  3   special  secondary 1  yes

_exptl_crystal_magnetic_properties_details
;
NPD
A transition at 43K to another magnetic phase with the same MSG is reported (#0.225)
The magnetic ordering is monoclinic.
A weak but observable structural distortion with respect to the parent cubic structure accompanies the magnetic ordering. The positional structure has been refined within the space group R-3m.
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim irrep active along a special direction corresponding to a monoclnic MSG. For this irrep 6 different MSGs are possible depending on the direction of the OP.
The spin configuration includes weak components of spin modes corresponding to secondary irreps compatible with the MSG.
A constraint of type my=2mx not forced by symmetry is included in the refined model.
Some moment components my have been very slightly corrected to comply with the my=2mx contraint mentioned in the reference.
;

_parent_space_group.name_H-M_alt  'F d -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,-1/2b+1/2c,a+b+c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '1/3a+2/3b+2/3c,-a,-1/3a-2/3b+1/3c;0,0,0'



_space_group_magn.number_BNS  12.62
_space_group_magn.name_BNS  "C 2'/m'"
_cell_length_a             5.11230
_cell_length_b             5.11230
_cell_length_c             12.58320
_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 -x,-y,-z,+1
3 x-y,-y,-z,-1
4 -x+y,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
_atom_site_occupancy
Nd1 Nd 0.00000 0.00000 0.12560 0.5
Tb1 Tb 0.00000 0.00000 0.12560 0.5
Co1_1 Co 0.00000 0.00000 0.50000 1.
Co1_2 Co 0.50000 0.00000 0.00000 1.
Co1_3 Co  0.00000 0.50000 0.00000 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
Nd1 0.92000 1.84000 2.25000 mx,2mx,mz
Tb1 0.92000 1.84000 2.25000 mx,2mx,mz
Co1_1 -0.39000 -0.78000 -1.30000 mx,2mx,mz
Co1_2 -0.71000 -1.42000 0.00000 mx,2mx,mz
Co1_3 -0.71000 -1.42000 0.00000 mx,my,mz
