#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 05/20/2022
# From an initial file submitted by A. Deptuch

data_5yOhtAoR
_audit_creation_date            2022-05-20
_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 Ni2 In"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Acta Phys. Pol. A"
_citation_journal_volume        124
_citation_page_first            994
_citation_page_last             997
_citation_article_id            .
_citation_year                  2013
_citation_DOI                   10.12693/APhysPolA.124.994

loop_
_citation_author_name
"A. Szytula"
"S. Baran"
"A. Hoser"
"Ya. M. Kalychak"
"B. Penc"
"Yu. Tyvanchuk"

_temperature_position_structure         100
_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     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mR2+ 2 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position structure from a determination at 100K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim small irrep involved
The irrep star has two k-vectors. A 2k model involving the two irrep k-vectors could in principle equally fit the data, but it would require that half of the Tb sites have zero moments and probably unrealistic too large moments for the other half.
;

_parent_space_group.name_H-M_alt  'C m m m'
_parent_space_group.IT_number                       65
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k [1/2 1/2 1/2]

_parent_space_group.child_transform_Pp_abc  '2a,2b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'a,-c,-1/4a+1/4b;3/4,0,1/4'


_space_group_magn.number_BNS  12.64
_space_group_magn.name_BNS  "C_a 2/m"
_space_group_magn.point_group_name  "2/m1'"
_space_group_magn.point_group_number  "5.2.13"
_cell_length_a                 7.80920
_cell_length_b                 28.25520
_cell_length_c                 7.36000
_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+1/2,-y,z,+1 
3 -x+1/2,-y,-z+1/2,+1 
4 x,y,-z+1/2,+1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1 
2 x+1/2,y,z,-1 
3 x,y+1/2,z+1/2,+1 
4 x+1/2,y+1/2,z+1/2,-1 
5 x+1/4,y+1/4,z+1/2,+1 
6 x+3/4,y+1/4,z+1/2,-1 
7 x+1/4,y+3/4,z,+1 
8 x+3/4,y+3/4,z,-1 
9 x+1/2,y,z+1/2,+1 
10 x+1,y,z+1/2,-1 
11 x+1/2,y+1/2,z,+1 
12 x+1,y+1/2,z,-1 
13 x+3/4,y+1/4,z,+1 
14 x+5/4,y+1/4,z,-1 
15 x+3/4,y+3/4,z+1/2,+1 
16 x+5/4,y+3/4,z+1/2,-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 0.25000 -0.06485 0.25000 1
Ni1 Ni 0.00000 0.10035 0.00000 1
In1 In 0.00000 0.00000 0.00000 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 6.33(14) 0,0,Mz 6.33(14) ? ?

