#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:56:51
# Database entry: 0.37 U3Al2Si3
# Cif-like file for the case 0.37


data_5yOhtAoR
_audit_creation_date            2018-06-08
_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                    'U3 Al2 Si3'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        14
_citation_page_first            8841
_citation_page_last             8851
_citation_article_id            .
_citation_year                  2002
_citation_DOI                   10.1088/0953-8984/14/38/308

loop_
_citation_author_name
"A.G. Gukasov"
"P. Rogl"
"P.J. Brown"
"M. Mihalik"
"A. Menovsky"






_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               "."

_transition_temperature     35
_experiment_temperature     6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3GM4 2 2 general primary . .

_exptl_crystal_magnetic_properties_details
;
PNSD, NSD
modulus and angle with a of moment U3_1: 1.29(1), 37(1)
modulus and angle with a of moment U3_2: 1.29(1), -42(3)
ferromagnetic on the plane xy
;

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

_parent_space_group.name_H-M_alt  'I  4'
_parent_space_group.IT_number                       79
_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,b;0,0,0'


_space_group_magn.number_BNS  5.15
_space_group_magn.name_BNS  "C  2'"
_space_group_magn.point_group_name  "2'"
_space_group_magn.point_group_number  "3.3.8"
_cell_length_a                 7.62920
_cell_length_b                 7.62920
_cell_length_c                 10.85020
_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

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 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
U1 U 0.00000 0.00000 0.25000 1
U2 U 0.00000 0.00000 0.74880 1
U3_1 U 0.15930 0.34070 0.02250 1
U3_2 U 0.65930 0.15930 0.02250 1
Si1 Si 0.00000 0.00000 0.00000 1
Si2 Si 0.00000 0.00000 0.50000 1
Si3_1 Si 0.35360 0.14800 0.20890 1
Si3_2 Si 0.85200 0.35360 0.20890 1
Al2_1 Al 0.14100 0.36130 0.32950 1
Al2_2 Al 0.63870 0.14100 0.32950 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 0.16 0.0 0.0 mx,my,0
U2 0.16 0.0 0.0 mx,my,0
U3_1 1.03 0.78 0.0 mx,my,mz
U3_2 0.96 -0.86 0.0 mx,my,mz

