#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 06/12/2024
# from a file provided by M. Stekiel

data_5yOhtAoR
_audit_creation_date            2024-06-12
_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                    "Al3 Ce1 Pd1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Phys. Rev. Res."
_citation_journal_volume        6
_citation_page_first            .
_citation_page_last             .
_citation_article_id            023117
_citation_year                  2024
_citation_DOI                   10.1103/PhysRevResearch.6.023117

loop_
_citation_author_name
"M. Stekiel"
"P. Cermak"
"C. Franz"
"M. Meven"
"D. Legut"
"W. Simeth"
"U.B. Hansen"
"B. Fak"
"S. Weber"
"R. Schoenmann"
"V. Kumar"
"K. Nemkovski"
"H. Deng"
"A. Bauer"
"C. Pfleiderer"
"A. Schneidewind"

_temperature_position_structure         10
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  2362259
_atomic_positions_source_other               .

_transition_temperature     5.6
_experiment_temperature     2.4

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

_exptl_crystal_magnetic_properties_details
;
NSD
Position structure from a determination at 10K
Measured crystal was twinned, with the twinning law and further details reported in the journal publication.
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim irrep
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_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  63.461
_space_group_magn.name_BNS  "C m c m' "
_space_group_magn.point_group_name  "m'mm"
_space_group_magn.point_group_number  8.3.26
_cell_length_a                 5.91
_cell_length_b                 10.31
_cell_length_c                 5.91
_cell_angle_alpha              90
_cell_angle_beta               90
_cell_angle_gamma              90

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,-y,z+1/2,+1 
3 -x,y,-z+1/2,-1 
4 x,-y,-z,-1 
5 -x,-y,-z,-1 
6 x,y,-z+1/2,-1 
7 x,-y,z+1/2,+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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce1 Ce 0 0.7653(5) 0.25 1
Pd1 Pd 0 0.0939(4) 0.25 1
Al1 Al 0 0.3322(7) 0.25 1
Al2 Al 0.2715(13) 0 0 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
Ce1 1.67(7) 0.0 0.0 mx,0,0 1.67(7) ? ?

