#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:12:35
# Database entry: 1.102 U2Ni2In
# Cif-like file for the case 1.102


data_5yOhtAoR
_audit_creation_date            2017-11-19
_audit_creation_method          "Bilbao Crystallographic Server"

_chemical_name_systematic
;
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'U2 Ni2 In'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        53
_citation_page_first            3263
_citation_page_last             3271
_citation_article_id            .
_citation_year                  1996
_citation_DOI                   10.1103/PhysRevB.53.3263

loop_
_citation_author_name
"H. Nakotte"
"A. Purwanto"
"R.A. Robinson"
"K. Prokes˘"
"J.C.P. Klaasse"
"P.F. de Châtel"
"F.R. de Boer"
"L. Havela"
"V. Sechovsky"
"L.C.J. Pereira"
"A. Seret"
"J. Rebizant"
"J.C. Spirlet"
"F. Trouw"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     14
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ3+ 1 1 . primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
magnitude moment of U atom site 0.60(1)
magnitude moment of Ni atom site 0.37(4)
atomic positions from experiment at 20K
similar structure in (Tran et al. , Journal of Magnetism and Magnetic Materials 161 (1996) 270-274) with U moment 0.85(5) at 1.5K, but null moment for the Ni site.
;

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

_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,c;0,0,0'


_space_group_magn.number_BNS  128.408
_space_group_magn.name_BNS  "P_c  4/m  n  c"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 7.38460
_cell_length_b                 7.38460
_cell_length_c                 7.14960
_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,x,z,+1
3 y,-x,z,+1
4 x+1/2,-y+1/2,-z+1/2,+1
5 -x+1/2,y+1/2,-z+1/2,+1
6 -x,-y,z,+1
7 y+1/2,x+1/2,-z+1/2,+1
8 -y+1/2,-x+1/2,-z+1/2,+1
9 -x,-y,-z,+1
10 y,-x,-z,+1
11 -y,x,-z,+1
12 -x+1/2,y+1/2,z+1/2,+1
13 x+1/2,-y+1/2,z+1/2,+1
14 x,y,-z,+1
15 -y+1/2,-x+1/2,z+1/2,+1
16 y+1/2,x+1/2,z+1/2,+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
_atom_site_occupancy
U1 U 0.17269 0.67269 0.25000 1
Ni1 Ni 0.37440 0.87440 0.00000 1
In1 In 0.00000 0.00000 0.00000 1

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 0.42 0.42 0.0 mx,mx,0
Ni1 0.0 0.0 -0.37(4) 0,0,mz

