#Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/08/2018 15:57:11
# Database entry: 1.0.2 URu0.96Rh0.04Si2
# Cif-like file for the case 1.0.2


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                    'U Ru0 .96Rh0 .04Si2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Phys. Rev. Lett."
_citation_journal_volume        110
_citation_page_first            ?
_citation_page_last             ?
_citation_article_id            216406
_citation_year                  2012
_citation_DOI                   10.1103/physrevlett.110.216406

loop_
_citation_author_name
"K. Kuwahara"
"S. Yoshii"
"H. Nojiri"
"D. Aoki"
"W. Knafo"
"F. Duc"
"X. Fabreges"
"G.W. Scheerer"
"P. Frings"
"G.L.J.A. Rikken"
"F. Bourdarot"
"L.P. Regnault"
"J. Flouquet"





_atomic_positions_source_database_code_ICSD   656245
_atomic_positions_source_other               "."

_transition_temperature     ?
_experiment_temperature     ?

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mSM4(k1) 4 1 . primary ? ?
mGM3+(k2) 1 1 . secondary ? ?

_exptl_crystal_magnetic_properties_details
;
magnetic field induced phase.
phase for fields along z above 26T.
neutron diffraction single crystal.
Ferrimagnetic.
The model includes a k=0 ferromagnetic mode to make all spin moduli equal, and therefore a magnetic contribution to nuclear Bragg peaks.
;

_active_magnetic_irreps_details
;
1k magnetic symmetry
k-maximal magnetic symmetry (from 6 possible)
1-dim small irrep
;

_parent_space_group.name_H-M_alt  'I  4/m  m  m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [2/3 0 0]
k2 [0 0 0]

_parent_space_group.child_transform_Pp_abc  '3a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;0,0,0'


_space_group_magn.number_BNS  71.536
_space_group_magn.name_BNS  "I  m'  m'  m"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 12.4260
_cell_length_b                 4.1420
_cell_length_c                 9.6240
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -x,-y,z,+1
3 -x,-y,-z,+1
4 x,y,-z,+1
5 x,-y,-z,-1
6 -x,y,-z,-1
7 -x,y,z,-1
8 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_1 U 0.00000 0.00000 0.00000 1.0000
U1_2 U 0.33333 0.00000 0.00000 1.0000
Rh1_1 Rh 0.50000 0.00000 0.25000 0.0400
Rh1_2 Rh 0.16667 0.00000 0.25000 0.0400
Ru1_1 Ru 0.50000 0.00000 0.25000 0.9600
Ru1_2 Ru 0.16667 0.00000 0.25000 0.9600
Si1_1 Si 0.00000 0.00000 0.62900 1.0000
Si1_2 Si 0.33333 0.00000 0.62900 1.0000

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 0.0 0.0 -0.6 0,0,mz
U1_2 0.0 0.0 0.6 0,0,mz

