#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/23/2022 01:33:47

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     60
_experiment_temperature     39.7

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY2 2 2 special primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at room temperature
Two additional magnetic phases
Polar along a
;

_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 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 1/2 0]

_parent_space_group.child_transform_Pp_abc  'a,2b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-c,b,a;0,7/8,0'

_space_group_magn.number_BNS  26.72
_space_group_magn.name_BNS  "P_b m c 2_1"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 18.16420
_cell_length_b                 16.00760
_cell_length_c                 3.64670
_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 
3 x,y,-z,+1 
4 x+1/2,-y+3/4,z,+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 

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
Tb2_1 Tb 0.21780 0.12045 0.00000 1
Tb2_2 Tb 0.78220 0.87955 0.00000 1
Tb3_1 Tb 0.42000 0.05915 0.00000 1
Tb3_2 Tb 0.58000 0.94085 0.00000 1
Pd1_1 Pd 0.30220 0.01160 0.50000 1
Pd1_2 Pd 0.69780 0.98840 0.50000 1
In1_1 In 0.56970 0.10410 0.50000 1
In1_2 In 0.43030 0.89590 0.50000 1
In2_1 In 0.85040 0.03780 0.50000 1
In2_2 In 0.14960 0.96220 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
Tb1 0.0 0.0 7.4(3) 0,0,mz 7.4(3) ? ?
Tb2_1 0.0 0.0 0.0 0,0,mz 0.0 ? ?
Tb2_2 0.0 0.0 0.0 0,0,mz 0.0 ? ?
Tb3_1 0.0 0.0 7.0(2) 0,0,mz 7.0(2) ? ?
Tb3_2 0.0 0.0 -7.0(2). 0,0,mz 7.0(2) ? ?

