#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/27/2023

data_5yOhtAoR
_audit_creation_date            2023-06-27
_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                    "Pr2 Pd1 Al7 Ge4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "PHYSICAL REVIEW B"
_citation_journal_volume        107
_citation_page_first            .
_citation_page_last             .
_citation_article_id            214435
_citation_year                  2023
_citation_DOI                   10.1103/PhysRevB.107.214435

loop_
_citation_author_name
"F. Gao"
"H.-L. Wang"
"M. Cui"
"W. Ren"
"C.-W. Wang"
"S. Yano"
"X. Liu"
"Z. He"
"B. Li"
"Z. Zhang"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     6
_experiment_temperature     3

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mZ5 2 2 special primary 4 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 293K
;

_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 -4 2_1 m'
_parent_space_group.IT_number                       113
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

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

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,b,c;1/4,0,0'


_space_group_magn.number_BNS  19.28
_space_group_magn.name_BNS  "P_c 2_1 2_1 2_1"
_space_group_magn.point_group_name  "2221'"
_space_group_magn.point_group_number  "6.2.18"
_cell_length_a                 6.00590
_cell_length_b                 6.00590
_cell_length_c                 30.45560
_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+1/2,y+1/2,-z+1/2,+1 
4 -x,-y,z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 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_1 Pr 0.00000 0.00000 0.38072 1
Pr1_2 Pr 0.00000 0.00000 0.61928 1
Pd1 Pd 0.00000 0.00000 0.25000 1
Ge1 Ge 0.00000 0.50000 0.14760 1
Ge2 Ge 0.00000 0.50000 0.34553 1
Ge3 Ge 0.27980 0.77980 0.45712 1
Al4 Al 0.20150 0.70150 0.03720 1
Al1 Al 0.74290 0.24290 0.29520 1
Al3 Al 0.00000 0.50000 0.42890 1
Al2 Al 0.24300 0.74300 0.20540 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_1 -1.030 -0.683 0.0 mx,my,0 1.236 ? ?
Pr1_2 -1.030 -0.683 0.0 mx,my,0 1.236 ? ?

