#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/03/2024 22:56:09

data_5yOhtAoR
_audit_creation_date            2024-02-03
_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                    "U14 Au51"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        9
_citation_page_first            4729
_citation_page_last             4742
_citation_article_id            .
_citation_year                  1997
_citation_DOI                   10.1088/0953-8984/9/22/023

loop_
_citation_author_name
"P J Brown"
"J Crangle"
"K-U Neumann"
"J G Smith"
"K R A Ziebeck"

_temperature_position_structure         293
_temperature_atom_positions             ?
_temperature_non-magn_atom_positions    ?
_temperature_cell_parameters            ?

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     22
_experiment_temperature     15

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM1- 1 1 . primary 5 .

_exptl_crystal_magnetic_properties_details
;
NSD and neutron polarimetry
Crystal structure from a room temperature determination
see (#0.282) for a different conflicting model of the same structure
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry (4 possible)
1-dim irrep primary
;

_parent_space_group.name_H-M_alt  'P  6/m'
_parent_space_group.IT_number                       175
_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  175.140
_space_group_magn.name_BNS  "P 6/m'"
_space_group_magn.point_group_name  "6/m'"
_space_group_magn.point_group_number  "23.4.85"
_cell_length_a                 12.65200
_cell_length_b                 12.65200
_cell_length_c                 9.13800
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 x-y,x,z,+1 
3 -y,x-y,z,+1 
4 -x,-y,z,+1 
5 -x+y,-x,z,+1 
6 y,-x+y,z,+1 
7 -x,-y,-z,-1 
8 -x+y,-x,-z,-1 
9 y,-x+y,-z,-1 
10 x,y,-z,-1 
11 x-y,x,-z,-1 
12 -y,x-y,-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
_atom_site_occupancy
Au1 Au 0.07920 0.26800 0.23190 1.
Au2 Au 0.11600 0.49440 0.15300 1.
Au3 Au 0.44300 0.10300 0.33430 1.
Au4 Au 0.23700 0.05800 0.50000 1.
Au5 Au 0.86400 0.97300 0.00000 0.5
Au6 Au 0.33333 0.66667 0.31000 1.
Au7 Au 0.33333 0.66667 0.00000 1.
U1 U 0.14200 0.46300 0.50000 1.
U2 U 0.39100 0.11400 0.00000 1.
U3 U 0.00000 0.00000 0.30400 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 0.07 2.31 0.0 mx,my,0 2.28 ? ?
U2 -1.28 0.34 0.0 mx,my,0 1.48 ? ?
U3 0.0 0.0 0.0 0,0,mz 0.0 ? ?

