#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/07/2022

data_5yOhtAoR
_audit_creation_date            2022-10-07
_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                    "U1 Pd1 Ga5"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        68
_citation_page_first            .
_citation_page_last             .
_citation_article_id            214419
_citation_year                  2003
_citation_DOI                   10.1103/PhysRevB.68.214419

loop_
_citation_author_name
"K. Kaneko"
"N. Metoki"
"N. Bernhoeft"
"G. H. Lander"
"Y. Ishii"
"S. Ikeda"
"Y. Tokiwa"
"Y. Haga"
"Y. Onuki"

_temperature_position_structure         9
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     86
_experiment_temperature     3.2

loop_
_irrep_id
_irrep_dimension3.
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mA3+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 9K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P 4/m m m'
_parent_space_group.IT_number                       123
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

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

_space_group_magn.number_BNS  140.550
_space_group_magn.name_BNS  "I_c 4/m c m"
_space_group_magn.point_group_name  "4/mmm1'"
_space_group_magn.point_group_number  "15.2.54"
_cell_length_a                 8.44920
_cell_length_b                 8.44920
_cell_length_c                 13.55020
_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 -y,-x,-z+1/2,+1 
5 y,x,-z+1/2,+1 
6 -x,-y,z,+1 
7 x,-y,-z+1/2,+1 
8 -x,y,-z+1/2,+1 
9 -x,-y,-z,+1 
10 y,-x,-z,+1 
11 -y,x,-z,+1 
12 y,x,z+1/2,+1 
13 -y,-x,z+1/2,+1 
14 x,y,-z,+1 
15 -x,y,z+1/2,+1 
16 x,-y,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+1/2,z+1/2,+1 
3 x+1/2,y,z+1/2,+1 
4 x+1/2,y+1/2,z,+1 
5 x,y,z+1/2,-1 
6 x,y+1/2,z,-1 
7 x+1/2,y,z,-1 
8 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
_atom_site_occupancy
Ga1 Ga 0.25000 0.25000 0.00000 1
Ga2 Ga 0.00000 0.25000 0.15150 1
Pd1 Pd 0.00000 0.00000 0.25000 1
U1 U 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
_atom_site_moment.magnitude
_atom_site_moment.spherical_azimuthal
_atom_site_moment.spherical_polar
U1 0.0 0.0 -0.75 0,0,mz 0.75 ? ?

