#\#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        "PHYSICAL REVIEW B"
_citation_journal_volume        71
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            064405
_citation_year                  2005
_citation_DOI                   10.1103/PhysRevB.71.064405

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




_atomic_positions_source_database_code_ICSD  246554
_atomic_positions_source_other               .

_transition_temperature  42
_experiment_temperature  9

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  6  .
GM3+ 2  2 general primary .  .
mGM5+ 3 3  special secondary 2 no


_exptl_crystal_magnetic_properties_details
;
NPD
FM phase
Above 42K and below 100K a ferromagnetic phase with the magnetic moments along c is reported (see #0.227). According to the original reference, the transition at 42K that changes the direction of the spins is accompanied by a small strain, which reduces the effective space group of the positional structure to Fddd.
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim irrep active along a special direction
If the lattice strain is disregarded, the actual MSG of the structure would be higher, namely Imm'a'
The further decrease of the symmetry to the monoclinic MSG C2'/c' is due to the lattice strain with respect to the cubic parent phase. This small strain included in the model cannot therefore be interpreted as an induced magnetostriction effect of the magnetic ordering, which would had to conform with the oblique orthorhombic lattice associated with the MSG Imm'a'.
The Fddd strain is associated with the GM3+ irrep and is therefore here included as primary active irrep for the reported model.
;

_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  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,-a,1/2b+1/2c;0,0,0'



_space_group_magn.number_BNS  15.89
_space_group_magn.name_BNS  "C 2'/c'"
_cell_length_a             7.29740
_cell_length_b             7.28210
_cell_length_c             7.27750
_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,-y,-z,+1
3 x,-y+1/4,-z+1/4,-1
4 -x,y+1/4,z+1/4,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,y+1/2,z+1/2,+1
3 x+1/2,y,z+1/2,+1
4 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
Nd1 Nd 0.12500 0.12500 0.12500
Co1_1 Co 0.50000 0.50000 0.50000
Co1_2 Co  0.25000 0.25000 0.50000

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 0.00000 1.98(4) 1.98000 0,my,mz
Co1_1 0.00000 0.52(2) 0.52000 mx,my,mz
Co1_2 0.00000 0.52000 0.52000 mx,my,mz
