#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:10:18
# Database entry: 1.67 TmPtIn
# Cif-like file for the case 1.67


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'Tm Pt In'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Magnetism and Magnetic Materials"
_citation_journal_volume        322
_citation_page_first            2177
_citation_page_last             2183
_citation_article_id            .
_citation_year                  2010
_citation_DOI                   10.1016/j.jmmm.2010.02.005

loop_
_citation_author_name
"S. Baran"
"D. Kaczorowski"
"A. Arulraj"
"B. Penc"
"A. Szytula"





_atomic_positions_source_database_code_ICSD   415510
_atomic_positions_source_other               .

_transition_temperature     3.5
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mQ4QA4 6 2 general primary . .

_exptl_crystal_magnetic_properties_details
;
NPD
;

_active_magnetic_irreps_details
;
k-maximal magnetic symmetry (4 possible)
restricted model with only one free moment parameter.
symmetry allows 6 moment parameters
4 symmetry-inequivalent Tm-sites
;

_parent_space_group.name_H-M_alt  'P  -62m'
_parent_space_group.IT_number                       189
_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  '1/4a-1/4b,c,-1/2a-1/2b;0,0,1/4'


_space_group_magn.number_BNS  39.201
_space_group_magn.name_BNS  "A_b  b  m  2"
_space_group_magn.point_group_name  "mm21'"
_space_group_magn.point_group_number  "7.2.21"
_cell_length_a                 30.13600
_cell_length_b                 30.13600
_cell_length_c                 7.53420
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              120.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 y+1/2,x+1/2,-z+1/2,+1
3 y+3/4,x+3/4,z,+1
4 x+1/4,y+1/4,-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+1/2,z+1/2,+1
3 x+1/4,y+1/4,z+1/2,+1
4 x+1/4,y+3/4,z,+1
5 x+1/2,y,z+1/2,+1
6 x+1/2,y+1/2,z,+1
7 x+3/4,y+1/4,z,+1
8 x+3/4,y+3/4,z+1/2,+1
9 x,y,z+1/2,-1
10 x,y+1/2,z,-1
11 x+1/4,y+1/4,z,-1
12 x+1/4,y+3/4,z+1/2,-1
13 x+1/2,y,z,-1
14 x+1/2,y+1/2,z+1/2,-1
15 x+3/4,y+1/4,z+1/2,-1
16 x+3/4,y+3/4,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
Tm1_1 Tm 0.14884 0.00000 0.25000 1
Tm1_2 Tm 0.85116 0.85116 0.25000 1
Tm1_3 Tm 0.14884 0.25000 0.25000 1
Tm1_4 Tm 0.85116 0.10116 0.25000 1
Pt1_1 Pt 0.00000 0.00000 0.25000 1
Pt1_2 Pt 0.00000 0.25000 0.25000 1
Pt2_1 Pt 0.08332 0.16667 0.00000 1
Pt2_2 Pt 0.08333 0.41667 0.00000 1
In1_1 In 0.06570 0.00000 0.00000 1
In1_2 In 0.93430 0.93430 0.00000 1
In1_3 In 0.06570 0.25000 0.00000 1
In1_4 In 0.93430 0.18430 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
Tm1_1 5.59(9) 0.0 0.0 mx,my,0
Tm1_2 -5.59 -5.59 0.0 mx,mx,0
Tm1_3 -5.59 0.0 0.0 mx,my,0
Tm1_4 -5.59 -5.59 0.0 mx,mx,0

