#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/23/2022

data_5yOhtAoR
_audit_creation_date            2022-10-23
_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                    "Tb5 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         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     100
_experiment_temperature     69.8

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
;
NPD
Position structure from a determination at room temperature
At lower temperatures two additional magnetic phases
;

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

_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  "P b' a' m"
_space_group_magn.point_group_name  "m'm'm"
_space_group_magn.point_group_number  "8.4.27"
_cell_length_a                 18.1642
_cell_length_b                 8.0038
_cell_length_c                 3.6467
_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,-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
Tb1 Tb 0.00000 0.00000 0.00000 1.0000
Tb2 Tb 0.21780 0.24090 0.00000 1.0000
Tb3 Tb 0.42000 0.11830 0.00000 1.0000
Pd1 Pd 0.30220 0.02320 0.50000 1.0000
In1 In 0.56970 0.20820 0.50000 1.0000
In2 In 0.85040 0.07560 0.50000 1.0000

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
Tb1 0.0 0.0 6.7(2) 0,0,mz 6.7(2) ? ?
Tb2 0.0 0.0 0.0 0,0,mz 0.0 ? ?
Tb3 0.0 0.0 4.1(1) 0,0,mz 4.1(1) ? ?

