#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/30/2022
# From a file provided by A. Deptuch

data_5yOhtAoR
_audit_creation_date            2022-05-30
_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                    "Dy5 Pd2 In4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Alloys Compd."
_citation_journal_volume        877
_citation_page_first            .
_citation_page_last             .
_citation_article_id            160171
_citation_year                  2021
_citation_DOI                   10.1016/j.jallcom.2021.160171

loop_
_citation_author_name
"S. Baran"
"A. Deptuch"
"M. Reehuis"
"Yu. Tyvanchuk"
"F. Yokaichiya"
"A. Szytula"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     89
_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 3 .

_exptl_crystal_magnetic_properties_details
;
Neutron powder diffraction. Ferrimagnetic structure: parallel moments at Dy atoms at 2a, 4g2 positions and antiparallel at 4g1 position. At higher investigated temperatures (40, 65, 80 K) magnetic moments at 4g1 are not detectable and structure is ferromagnetic.
;

_active_magnetic_irreps_details
;
1k magnetic structure
1-dim irrep
FM along c
;

_parent_space_group.name_H-M_alt  'P b a m'
_parent_space_group.IT_number                       55
_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  55.357
_space_group_magn.name_BNS  "Pb'a'm"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 18.09060
_cell_length_b                 7.96728
_cell_length_c                 3.61452
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

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+1/2,-y+1/2,-z,-1 
6 -x+1/2,y+1/2,-z,-1 
7 -x+1/2,y+1/2,z,-1 
8 x+1/2,-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
Dy1 Dy 0.00000 0.00000 0.00000 1
Dy2 Dy 0.21996 0.24836 0.00000 1
Dy3 Dy 0.41719 0.12368 0.00000 1
Pd1 Pd 0.30039 0.02300 0.50000 1
In1 In 0.55607 0.19892 0.50000 1
In2 In 0.84476 0.08720 0.50000 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
Dy1 0.0 0.0 5.4(7) 0,0,Mz 5.4(7) ? ?
Dy2 0.0 0.0 -1.7(4) 0,0,Mz -1.7(4) ? ?
Dy3 0.0 0.0 3.9(5) 0,0,Mz 3.9(5) ? ?

