#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 02/14/2023

data_5yOhtAoR
_audit_creation_date            2023-02-14
_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                    "Pr1 Pd1 Sn1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        269
_citation_page_first            25
_citation_page_last             28
_citation_article_id            .
_citation_year                  1998
_citation_DOI                   10.1016/S0925-8388(98)00257-6

loop_
_citation_author_name
"M. Kolenda"
"S. Baran"
"A. Oles"
"N. Stusser"
"A. Szytula"

_temperature_position_structure         5
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  54459
_atomic_positions_source_other               .

_transition_temperature     4.6
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mT2 2 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 5K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim irrep along a special direction
;

_parent_space_group.name_H-M_alt  'P n m a'
_parent_space_group.IT_number                       62
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  'a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,-1/2b+1/2c;0,0,0'


_space_group_magn.number_BNS  14.80
_space_group_magn.name_BNS  "P_a 2_1/c"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 7.44480
_cell_length_b                 9.31940
_cell_length_c                 15.90720
_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+3/4,-z+1/4,+1 
3 -x,-y,-z,+1 
4 -x+1/2,y+3/4,z+1/4,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x,y+1/2,z+1/2,+1 
3 x,y+1/2,z,-1 
4 x,y,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
Pr1 Pr 0.98190 0.12500 0.10085 1
Pd1 Pd 0.20210 0.12500 0.29490 1
Sn1 Sn 0.81290 0.12500 0.29445 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
Pr1 0.0 3.38(6) 0.0 mx,my,mz 3.38(6) ? ?

