#\#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  246555
_atomic_positions_source_other               .

_transition_temperature  100
_experiment_temperature  60

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM4+  3  3  special  primary  3  .
GM3+   2  2  special  secondary 1 yes

_exptl_crystal_magnetic_properties_details
;
NPD
FM phase
Below 42K a phase transition with a change of orientation of the spins is reported (see #0.226).
The ferromagnetic ordering at 100K is accompanied with a small strain that reduces the effective space group to I4_1/amd.  This strain is consistent as an induced magnetostriction effect of the magnetic symmetry break.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (6 possible)
3-dim irrep active along a special direction
The tetragonal strain is associated with the GM3+ irrep and can be considered an induced secondary effect.
;

_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-1/2b,1/2a+1/2b,c;1/4,1/4,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'

_space_group_magn.number_BNS  141.557
_space_group_magn.name_BNS  "I 4_1/a m' d'"
_cell_length_a             5.15660
_cell_length_b             5.15660
_cell_length_c             7.27080
_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 -y+1/4,x+3/4,z+1/4,+1
3 y+3/4,-x+3/4,z+1/4,+1
4 -x,-y+1/2,z,+1
5 -x,-y,-z,+1
6 y+3/4,-x+1/4,-z+3/4,+1
7 -y+1/4,x+1/4,-z+3/4,+1
8 x,y+1/2,-z,+1
9 x,-y,-z,-1
10 -x,y+1/2,-z,-1
11 y+3/4,x+1/4,-z+3/4,-1
12 -y+1/4,-x+1/4,-z+3/4,-1
13 -x,y,z,-1
14 x,-y+1/2,z,-1
15 -y+1/4,-x+3/4,z+1/4,-1
16 y+3/4,x+3/4,z+1/4,-1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y+1/2,z+1/2,+1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Nd1 Nd 0.00000 0.25000 0.37500
Co1 Co 0.00000 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
Nd1 0.00000 0.00000 2.43000 0,0,mz
Co1 0.00000 0.00000 0.59000 0,my,mz
