#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 21/04/2020

data_5yOhtAoR
_audit_creation_date            2020-04-21
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "EUROPHYSICS LETTERS"
_citation_journal_volume        11
_citation_page_first            261
_citation_page_last             268
_citation_article_id            ?
_citation_year                  1990
_citation_DOI                   10.1209/0295-5075/11/3/013

loop_
_citation_author_name
"J. Rodriguez-Carvajal"
"M.T. Fernandez-Diaz"
"J.L. Martinez"
"F. Fernandez"
"R. Saez-Puche"



_atomic_positions_source_database_code_ICSD  66061
_atomic_positions_source_other               .

_transition_temperature  130
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+  1  1  .  primary  4  .

_exptl_crystal_magnetic_properties_details
;
NPD
At 130K a structural transition takes place changing from an orthorhombic phase (see #1.371) to this tetragonal phase, both magnetically ordered.
The Nd moments only order below 8K without addtional symmetry breaking
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (12 possible)
1-dim irrep as primary
;

_parent_space_group.name_H-M_alt  'P 4_2/n c m'
_parent_space_group.IT_number                       138
_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  138.525
_space_group_magn.name_BNS  "P 4_2/n c' m'"
_cell_length_a             5.480(1)
_cell_length_b             5.480
_cell_length_c             12.057(8)
_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+1/2,x,z+1/2,+1
3 y,-x+1/2,z+1/2,+1
4 -x+1/2,-y+1/2,z,+1
5 -x,-y,-z,+1
6 y+1/2,-x,-z+1/2,+1
7 -y,x+1/2,-z+1/2,+1
8 x+1/2,y+1/2,-z,+1
9 x+1/2,-y,-z+1/2,-1
10 -x,y+1/2,-z+1/2,-1
11 y+1/2,x+1/2,-z,-1
12 -y,-x,-z,-1
13 -x+1/2,y,z+1/2,-1
14 x,-y+1/2,z+1/2,-1
15 -y+1/2,-x+1/2,z,-1
16 y,x,z,-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
Ni1 Ni 0.00000 0.00000 0.00000
Nd1 Nd 0.9879(5) 0.98790 0.3641(2)
O1 O 0.25000 0.25000 0.9702(6)
O2 O 0.0508(5) 0.05080 0.1785(5)
O3 O 0.75000 0.25000 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
Ni1 1.09 1.09 0.4(2) mx,mx,mz
Nd1 -2.03 -2.03 1.0(2) mx,mx,mz



