#\#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  66060
_atomic_positions_source_other               .

_transition_temperature  320
_experiment_temperature  150

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1+  1  1  .  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Non standard parent setting Bmab
Below 130K the system changes to a tetragonal phase (see #0.349)
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (8 possible)
1-dim irrep as primary
Irrep label used here corresponds to the parent standard setting Cmce.
;

_parent_space_group.name_H-M_alt  'C m c e'
_parent_space_group.IT_number                       64
_parent_space_group.transform_Pp_abc  'a,-c,b;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 0 0]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,-c,b;0,0,0'



_space_group_magn.number_BNS  53.335
_space_group_magn.name_BNS  "P_C m n a"
_cell_length_a             5.37325(9)
_cell_length_b             5.5913(1)
_cell_length_c             12.0976(2)
_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+1/2,-y+1/2,z,+1
4 -x+1/2,y+1/2,-z,+1
5 -x,-y,-z,+1
6 -x,y,z,+1
7 x+1/2,y+1/2,-z,+1
8 x+1/2,-y+1/2,z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/2,y,z+1/2,-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 0.00000 0.9827(3) 0.3630(1)
O1 O 0.25000 0.25000 0.9823(2)
O2 O 0.00000 0.0652(3) 0.1806(2)

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 1.57(5) 0.00000 0.00000 mx,0,0
Nd1 0.00000 0.00000 0.00000 mx,0,0

