#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/26/2022

data_5yOhtAoR
_audit_creation_date            2022-11-26
_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                    "Yb1 Pd1 Si1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        28
_citation_page_first            .
_citation_page_last             .
_citation_article_id            336002
_citation_year                  2016
_citation_DOI                   10.1088/0953-8984/28/33/336002

loop_
_citation_author_name
"N. Tsujii"
"L. Keller"
"A. Donni"
"H. Kitazawa"

_temperature_position_structure         15
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     8
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM2+ 1 1 . primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 15K
;

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

_parent_space_group.name_H-M_alt  'P m m n'
_parent_space_group.IT_number                       59
_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  59.409
_space_group_magn.name_BNS  "P m' m' n"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 4.26440
_cell_length_b                 13.58780
_cell_length_c                 7.36020
_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+1/2,-y+1/2,z,+1 
3 -x,-y,-z,+1 
4 x+1/2,y+1/2,-z,+1 
5 x+1/2,-y,-z,-1 
6 -x,y+1/2,-z,-1 
7 -x+1/2,y,z,-1 
8 x,-y+1/2,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
Yb1 Yb 0.25000 0.00380 0.79840 1
Yb2 Yb 0.25000 0.75000 0.70250 1
Yb3 Yb 0.25000 0.25000 0.72270 1
Pd1 Pd 0.25000 0.14600 0.10540 1
Pd2 Pd 0.25000 0.58710 0.41450 1
Si1 Si 0.25000 0.11230 0.42660 1
Si2 Si 0.25000 0.65100 0.09100 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
Yb1 0.0 0.64(3) 0.26(3) 0,my,mz 0.69 ? ?
Yb2 0.0 0.0 1.30(4) 0,0,mz 1.30(4) ? ?
Yb3 0.0 0.0 0.15(4) 0,0,mz 0.15(4) ? ?

