#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:18:02
# Database entry: 1.163 TmPdIn
# Cif-like file for the case 1.163


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 Pd In'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "J. Alloys and Compounds"
_citation_journal_volume        662
_citation_page_first            11
_citation_page_last             15
_citation_article_id            .
_citation_year                  2016
_citation_DOI                   10.1016/j.jallcom.2015.11.200

loop_
_citation_author_name
"S. Baran"
"A. Szytula"
"D. Kaczorowski"
"F. Damay"




_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     2.7
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mH5HA5 4 2 special primary 4 .
mA1 1 1 . secondary 1 no
mA4 1 1 . secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Due to to ambiguity on the phase of the spin wave, the model is not unique. Other models are also possible. The phase value has been chosen to have two of the three independent Tm with equal spins.
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
4-dim (physically irreducible) irrep active
;

_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 [1/3 1/3 1/2]

_parent_space_group.child_transform_Pp_abc  '3a,3b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-1/3a+1/3b,2/3a+1/3b,-c;4/9,8/9,0'


_space_group_magn.number_BNS  174.136
_space_group_magn.name_BNS  "P_c  -6"
_space_group_magn.point_group_name  "-61'"
_space_group_magn.point_group_number  "22.2.80"
_cell_length_a                 22.85100
_cell_length_b                 22.85100
_cell_length_c                 7.41200
_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 -x+y,-x+1/3,z,+1
3 -y+1/3,x-y+1/3,z,+1
4 -y+1/3,x-y+1/3,-z,+1
5 x,y,-z,+1
6 -x+y,-x+1/3,-z,+1

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,z,+1
2 x+1/3,y+2/3,z,+1
3 x+2/3,y+1/3,z,+1
4 x,y,z+1/2,-1
5 x+1/3,y+2/3,z+1/2,-1
6 x+2/3,y+1/3,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
In1_1 In 0.08800 0.00000 0.00000 1
In1_2 In 0.00000 0.08800 0.00000 1
In1_3 In 0.91200 0.91200 0.00000 1
Tm1_1 Tm 0.19733 0.00000 0.25000 1
Tm1_2 Tm 0.00000 0.19733 0.25000 1
Tm1_3 Tm 0.80267 0.80267 0.25000 1
Pd1_1 Pd 0.11111 0.22222 0.00000 1
Pd1_2 Pd 0.22222 0.11111 0.00000 1
Pd1_3 Pd 0.11111 0.55556 0.00000 1
Pd1_4 Pd 0.11111 0.88889 0.00000 1
Pd2 Pd 0.00000 0.00000 0.25000 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 0.0 0.0 0.0 mx,my,0
Tm1_2 0.0 -6.15(7) 0.0 mx,my,0
Tm1_3 -6.15 -6.15 0.0 mx,my,0

