#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/03/2024
# From a file provided by P. Kral

data_5yOhtAoR
_audit_creation_date            2024-11-03
_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                    "Tm2 Cu2 In1"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Alloys Compd."
_citation_journal_volume        1004
_citation_page_first            1
_citation_page_last             12
_citation_article_id            .
_citation_year                  2024
_citation_DOI                   10.1016/j.jallcom.2024.175854

loop_
_citation_author_name
"P. Kral"
"M. Klicpera"
"M. Divis"
"L. Havela"
"J. Kastil"
"P. Dolezal"
"V. Pomjakushin"
"J. Prchal"

_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     31
_experiment_temperature     1.6

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 1 .

_exptl_crystal_magnetic_properties_details
;
NPD
positional structure from the same experiment, same conditions
Ferromagnet along z
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal symmetry
1-dim irrep
;

_parent_space_group.name_H-M_alt  'P4/mbm'
_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 [0 0 0]

_parent_space_group.child_transform_Pp_abc  "a,b,c;0,0,0"
_space_group_magn.transform_BNS_Pp_abc  "a,b,c;0,0,0"


_space_group_magn.number_BNS  127.393
_space_group_magn.name_BNS  "P4/mb’m’"
_space_group_magn.point_group_name  "4/mm'm'"
_space_group_magn.point_group_number  15.6.58
_cell_length_a                 7.40583(15)
_cell_length_b                 7.40583(15)
_cell_length_c                 3.67467(10)
_cell_angle_alpha              90.0000
_cell_angle_beta               90.0000
_cell_angle_gamma              90.0000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1
2 -y,x,z,+1
3 y,-x,z,+1
4 -x,-y,z,+1
5 -x,-y,-z,+1
6 y,-x,-z,+1
7 -y,x,-z,+1
8 x,y,-z,+1
9 x+1/2,-y+1/2,-z,-1
10 -x+1/2,y+1/2,-z,-1
11 y+1/2,x+1/2,-z,-1
12 -y+1/2,-x+1/2,-z,-1
13 -x+1/2,y+1/2,z,-1
14 x+1/2,-y+1/2,z,-1
15 -y+1/2,-x+1/2,z,-1
16 y+1/2,x+1/2,z,-1 

loop_
_space_group_symop_magn_centering.id
_space_group_symop_magn_centering.xyz
1 x,y,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 Tm 0.17189 0.67189 0.50000 1
Cu1 Cu 0.37628 0.87628 0 1
In1 In 0 0 0 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
Tm1 0.0 0.0 6.66 0,0,mz 6.66 ? ?


