#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/13/2021 
# From a mCIF file provided by A. Deptuch

data_5yOhtAoR
_audit_creation_date            2021-12-13
_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                    "Tb2 Ni1.78 In"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Cryst. B"
_citation_journal_volume        77
_citation_page_first            824
_citation_page_last             832
_citation_article_id            .
_citation_year                  2021
_citation_DOI                   10.1107/S2052520621008179

loop_
_citation_author_name
"S. Baran"
"A. Deptuch"
"A. Hoser"
"B. Penc"
"Y. Tyvanchuk"
"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     21
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mS4 4 2 special primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim small irrep along a special direction
The irrep star has 2 k-vectors. The 2k arrangement for the same irrep, which could equally fit the data, was not considered.
;

_parent_space_group.name_H-M_alt  'P/4 m b m'
_parent_space_group.IT_number                       127
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1/4 1/4 1/2]

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

_space_group_magn.number_BNS  64.479
_space_group_magn.name_BNS  "C_a m c a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 29.38340
_cell_length_b                 29.38340
_cell_length_c                 7.33914
_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+1/4,-y+1/4,z,+1 
3 y+1/8,x+7/8,-z,+1 
4 -y+3/8,-x+1/8,-z,+1 
5 -x+1/4,-y+1/4,-z+1/2,+1 
6 x,y,-z+1/2,+1 
7 -y+3/8,-x+1/8,z+1/2,+1 
8 y+1/8,x+7/8,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 
3 x,y+1/2,z+1/2,+1 
4 x,y+1/2,z+1,-1 
5 x+1/4,y+1/4,z+1/2,+1 
6 x+1/4,y+1/4,z+1,-1 
7 x+1/4,y+3/4,z,+1 
8 x+1/4,y+3/4,z+1/2,-1 
9 x+1/2,y,z+1/2,+1 
10 x+1/2,y,z+1,-1 
11 x+1/2,y+1/2,z,+1 
12 x+1/2,y+1/2,z+1/2,-1 
13 x+3/4,y+1/4,z,+1 
14 x+3/4,y+1/4,z+1/2,-1 
15 x+3/4,y+3/4,z+1/2,+1 
16 x+3/4,y+3/4,z+1,-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_1 Tb -0.04371 0.83129 0.75000 1.00000
Tb1_2 Tb 0.04371 -0.08129 0.75000 1.00000
Tb1_3 Tb 0.33129 0.29371 0.75000 1.00000
Ni1_1 Ni 0.15538 0.03038 0.00000 0.89000
Ni1_2 Ni 0.34462 0.21962 0.00000 0.89000
Ni1_3 Ni 0.21962 0.15538 0.00000 0.89000
In1_1 In 0.75000 0.75000 0.00000 1.00000
In1_2 In 0.12500 0.12500 0.00000 1.00000

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_1 0.0 0.0 -7.55(5) 0,0,mz 7.55(5) ? ?
Tb1_2 0.0 0.0 7.55(5) 0,0,mz 7.55(5) ? ?
Tb1_3 0.0 0.0 7.55(5) 0,0,mz 7.55(5) ? ?

