#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/29/2022

data_5yOhtAoR
_audit_creation_date            2022-11-29
_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                    "Tm3 Cu4 Ge4"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Phys.: Condens. Matter"
_citation_journal_volume        25
_citation_page_first            .
_citation_page_last             .
_citation_article_id            066012
_citation_year                  2013
_citation_DOI                   10.1088/0953-8984/25/6/066012

loop_
_citation_author_name
"S. Baran"
"D. Kaczorowski"
"A. Szytula"
"A. Gil"
"A. Hoser"

_temperature_position_structure         4.9
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  187624
_atomic_positions_source_other               .

_transition_temperature     2.8
_experiment_temperature     2.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mDT4 2 1 special primary 2 .

_exptl_crystal_magnetic_properties_details
;
NPD
Positional structure from a determination at 4.9K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
2-dim (k,-k) irrep along a special direction (special modulation phase)
;

_parent_space_group.name_H-M_alt  'I m m m'
_parent_space_group.IT_number                       71
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [0 1/2 0]

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

_space_group_magn.number_BNS  62.450
_space_group_magn.name_BNS  "P_a n m a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 13.71760
_cell_length_b                 13.19280
_cell_length_c                 4.13210
_cell_angle_alpha              90.00
_cell_angle_beta               90.00
_cell_angle_gamma              90.00

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x,y+1/2,-z,+1 
3 -x+1/2,-y+1/4,z+1/2,+1 
4 x+1/2,-y+3/4,-z+1/2,+1 
5 -x+1/2,-y+1/4,-z+1/2,+1 
6 x+1/2,-y+3/4,z+1/2,+1 
7 x,y,-z,+1 
8 -x,y+1/2,z,+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 

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 0.50000 0.00000 0.50000 1
Tm2 Tm 0.12990 0.00000 0.00000 1
Cu1_1 Cu 0.32970 0.09585 0.00000 1
Cu1_2 Cu 0.67030 0.90415 0.00000 1
Ge1 Ge 0.21740 0.25000 0.00000 1
Ge2_1 Ge 0.00000 0.09475 0.50000 1
Ge2_2 Ge 0.00000 0.90525 0.50000 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 5.7(2) 0,0,mz 5.7(2) ? ?
Tm2 0.0 0.0 0.0 0,0,mz 0.0 ? ?

