#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/20/2022

data_5yOhtAoR
_audit_creation_date            2022-10-20
_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                    "Tb1 Mn2 Ge2"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Solid State Communications"
_citation_journal_volume        49
_citation_page_first            361
_citation_page_last             364
_citation_article_id            .
_citation_year                  1984
_citation_DOI                   10.1016/0038-1098(84)90587-8 

loop_
_citation_author_name
"J. Leciejewicz"
"A. Szytula"

_temperature_position_structure         .
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  53709
_atomic_positions_source_other               .

_transition_temperature     26
_experiment_temperature     4.2

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mGM3+ 1 1 . primary 2 .
mM1- 1 1 . primary 1 .
mSM2 4 2 special primary 3 .
mSM3 4 2 special primary 2 .
mGM5+ 2 2 general secondary 4 no
mM5- 2 2 general secondary 2 no
mSM1 4 2 special secondary 1 no
mSM4 4 2 special secondary 3 no
 
_exptl_crystal_magnetic_properties_details
;
NPD
Two other phases above 26K. AFM Mn ordering below 413K, Tb FM ordering below 110K
In this phase an AFM arrangement of Tb moments on the xy plane is added
;

_active_magnetic_irreps_details
;
3k magnetic structure
Four different irreps are necessary as primary ones. Apart from those of the AFM Mn ordering and the FM Tb ordering along z, the AFM Tb ordering on the xy plane requires the action of two additional irreps. 
Apparently the model was obtained by some trial and error method, without representation analysis or magnetic symmetry. See #0.897 for a completely different structure proposed for this phase.
;

_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 [0 0 0]
k2 [1 1 1]
k3 [0 1/2 0]

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

_space_group_magn.number_BNS  2.4
_space_group_magn.name_BNS  "P -1"
_space_group_magn.point_group_name  "-1"
_space_group_magn.point_group_number  "2.1.3"
_cell_length_a                 3.97200
_cell_length_b                 7.94400
_cell_length_c                 10.75800
_cell_angle_alpha              90.00000
_cell_angle_beta               90.00000
_cell_angle_gamma              90.00000

loop_
_space_group_symop_magn_operation.id
_space_group_symop_magn_operation.xyz
1 x,y,z,+1 
2 -x+1/2,-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 

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn1_1 Mn 0.00000 0.25000 0.25000 1
Mn1_2 Mn 0.50000 0.50000 0.75000 1
Mn1_3 Mn 0.50000 0.00000 0.75000 1
Mn1_4 Mn 0.00000 0.75000 0.25000 1
Tb1_1 Tb 0.00000 0.00000 0.00000 1
Tb1_2 Tb 0.50000 0.75000 0.50000 1
Ge1_1 Ge 0.00000 0.00000 0.37970 1
Ge1_2 Ge 0.50000 0.75000 0.87970 1
Ge1_3 Ge 0.00000 0.00000 0.62030 1
Ge1_4 Ge 0.50000 0.75000 0.12030 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
Mn1_1 0.0 0.0 2.3(3) Mx,My,Mz 2.3(3) ? ?
Mn1_2 0.0 0.0 -2.3(3) Mx,My,Mz 2.3(3) ? ?
Mn1_3 0.0 0.0 -2.3(3) Mx,My,Mz 2.3(3) ? ?
Mn1_4 0.0 0.0 2.3(3) Mx,My,Mz 2.3(3) ? ?
Tb1_1 2.46 -4.92 7.6(3) Mx,My,Mz 9.1(3) ? ?
Tb1_2 -2.46 4.92 7.6(3) Mx,My,Mz 9.1(3) ? ?

