#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:03:51
# Database entry: 0.170 U3P4
# Cif-like file for the case 0.170


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                    'U3 P4'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        39
_citation_page_first            745
_citation_page_last             749
_citation_article_id            .
_citation_year                  1981
_citation_DOI                   10.1016/0038-1098(81)90449-X

loop_
_citation_author_name
"P. Burlet"
"J. Rossat-Mignod"
"R. Troc"
"Z. Henkie"




_atomic_positions_source_database_code_ICSD   648243
_atomic_positions_source_other               .

_transition_temperature     140
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM5 3 3 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NSD
A similar structure is also reported for the compound U3As4 (see entry #0.169). An alternative model with different values for the spin of U was undistinguishable. This one was considered more probable by comparison with U3As4.
;

_active_magnetic_irreps_details
;
1k magnetic structure
3-dim irrep active. 6 different possible MSGs depending on the order parameter direction (irrep epikernerls). The one realized is one of maximal symmetry.
Ferromagnetic and polar symmetry along the (1,1,1) direction.
;

_parent_space_group.name_H-M_alt  'I  -43d'
_parent_space_group.IT_number                       220
_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-c,-a+b,1/2a+1/2b+1/2c;0,0,0'


_space_group_magn.number_BNS  161.71
_space_group_magn.name_BNS  "R  3c'  "
_space_group_magn.point_group_name  "3m'"
_space_group_magn.point_group_number  "19.3.70"
_cell_length_a                 8.21200
_cell_length_b                 8.21200
_cell_length_c                 8.21200
_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 z,x,y,+1
3 y,z,x,+1
4 z+1/4,y+1/4,x+1/4,-1
5 x+1/4,z+1/4,y+1/4,-1
6 y+1/4,x+1/4,z+1/4,-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 0.37500 0.00000 0.25000 1
P1_1 P 0.08300 0.08300 0.08300 1
P1_2 P 0.41700 0.91700 0.58300 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 1.1 0.7 0.7 mx,my,mz

