#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/18/2022

data_5yOhtAoR
_audit_creation_date            2022-10-18
_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                    "Tm1 Mn2 Ge2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?

_citation_journal_abbrev        "Journal of Alloys and Compounds"
_citation_journal_volume        240
_citation_page_first            139
_citation_page_last             150
_citation_article_id            .
_citation_year                  1996
_citation_DOI                   10.1016/0925-8388(96)02272-4

loop_
_citation_author_name
"G. Venturini"
"B. Malaman"
"E. Ressouche"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  107114
_atomic_positions_source_other               .

_transition_temperature     8.5(2)
_experiment_temperature     2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mM1- 1 1 . primary 1 .
mLD5 4 2 special primary 6 .
mGM3+ 1 1 . secondary 2 no
mGM2- 1 1 . secondary 1 no
mM3+ 1 1 . secondary 1 no
mM4+ 1 1 . secondary 1 no

_exptl_crystal_magnetic_properties_details
;
NPD
Between 487K and 8.5K another phase is reported with only Mn moments ordered (see #1.690)
;

_active_magnetic_irreps_details
;
2k magnetic structure
Two irreps as primary ones. Many secondary irreps are not active. Models of higher symmetry are possible combining the same two primary irreps.
Apparently neither representation analysis nor magnetic space groups were used in the refinement process. Not clear if possible arrangements of higher symmetry were tested.
;

_parent_space_group.name_H-M_alt  'I 4/m m m'
_parent_space_group.IT_number                       139
_parent_space_group.transform_Pp_abc  'a,b,c;0,0,0'

loop_
_parent_propagation_vector.id
_parent_propagation_vector.kxkykz
k1 [1 1 1]
k2 [0 0 1/2]

_parent_space_group.child_transform_Pp_abc  'a,b,2c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  '-b,a,c;0,0,0'

_space_group_magn.number_BNS  26.70
_space_group_magn.name_BNS  "P m' c' 2_1"
_space_group_magn.point_group_name  "m'm'2"
_space_group_magn.point_group_number  "7.4.23"
_cell_length_a                 3.933
_cell_length_b                 3.933
_cell_length_c                 21.55
_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,z+1/2,+1 
3 x,-y,z,-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 

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 0.00000 0.00000 0.00000 1
Tm1_2 Tm 0.50000 0.50000 0.25000 1
Mn1_1 Mn 0.00000 0.50000 0.12500 1
Mn1_2 Mn 0.50000 0.00000 0.12500 1
Mn1_3 Mn 0.50000 0.00000 0.37500 1
Mn1_4 Mn 0.00000 0.50000 0.37500 1
Ge1_1 Ge 0.00000 0.00000 0.19300 1
Ge1_2 Ge 0.00000 0.00000 0.80700 1
Ge1_3 Ge 0.50000 0.50000 0.44300 1
Ge1_4 Ge 0.50000 0.50000 0.05700 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_1 6.63(18) 0.0 0.0 mx,0,mz 6.63(18) ? ?
Tm1_2 6.63(18) 0.0 0.0 mx,0,mz 6.63(18) ? ?
Mn1_1 -0.82 0.0 2.13 mx,0,mz 2.3(3) ? ?
Mn1_2 -0.82 0.0 2.13 mx,0,mz 2.3(3) ? ?
Mn1_3 0.82 0.0 -2.13 mx,0,mz 2.3(3) ? ?
Mn1_4 0.82 0.0 -2.13 mx,0,mz 2.3(3) ? ?

