# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 24/02/2018 22:50:27
# icsd_54391_300K.cif

data_5yOhtAoR
_audit_creation_date            2018-02-24
_audit_creation_method          "Bilbao Crystallographic Server"

_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        138
_citation_page_first            307
_citation_page_last             313
_citation_article_id            ?
_citation_year                  1994
_citation_DOI                   10.1016/0304-8853(94)90052-3

loop_
_citation_author_name
"F. Bouree"
"B. Chevalier"
"L. Fournes"
"F. Mirambet"
"T. Roisnel"
"V. Tran"
"Z. Zolnierek"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature  25
_experiment_temperature  1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5-  2  2  special  primary  2  .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from model determined at 300K
lattice parameters from a measurement at 36K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep active along special direction
The magnetic site is splitted.
The experiment did not distinguish the direction of the spins on the ab plane. Here the direction is assumed to be (1,1,0), such that the symmetry is maximal.
Collinearity is forced by the MSG, but not the modulus equality of the two independent sites.
;

_parent_space_group.name_H-M_alt  'P  4/m  b  m'
_parent_space_group.IT_number                       127
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 0 1/2]

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



_space_group_magn.number_BNS  63.466
_space_group_magn.name_BNS  "C_c  m  c  m"
_cell_length_a             7.214
_cell_length_b             7.214
_cell_length_c             7.414
_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+1/2,-z+1/2,+1
3 -y+1/2,-x+1/2,-z,+1
4 -x,-y,z+1/2,+1
5 -x,-y,-z+1/2,+1
6 -y+1/2,-x+1/2,z,+1
7 y+1/2,x+1/2,z+1/2,+1
8 x,y,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x,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
U1_1 U 0.17390 0.67390 0.25000
U1_2 U  0.32610 0.17390 0.25000
Ni1_1 Ni 0.37500 0.87500 0.00000
Ni1_2 Ni  0.12500 0.37500 0.00000
Sn1 Sn 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
U1_1 -1.00000 -1.00000 0.00000 mx,mx,0
U1_2 1.00000 1.00000 0.00000 mx,mx,0


