#\#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  .
_atomic_positions_source_other               .

_transition_temperature     110
_experiment_temperature     85

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 .

_exptl_crystal_magnetic_properties_details
;
NPD
Two other magnetic phases: AFM Mn ordering along z below 413K and AFM Tb ordering on the plane xy below 26K
;

_active_magnetic_irreps_details
;
2k magnetic structure
k-maximal symmetry
Two irreps as primary ones. One for the Mn ordering and one for the Tb ordering.
;

_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 0]

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

_space_group_magn.number_BNS  129.417
_space_group_magn.name_BNS  "P 4/n m' m'"
_space_group_magn.point_group_name  "4/mm'm'"
_space_group_magn.point_group_number  "15.6.58"
_cell_length_a                 4.006(2)
_cell_length_b                 4.006(2)
_cell_length_c                 10.842(8)
_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 -y,x,z,+1 
3 y,-x,z,+1 
4 -x,-y,z,+1 
5 -x+1/2,-y+1/2,-z+1/2,+1 
6 y+1/2,-x+1/2,-z+1/2,+1 
7 -y+1/2,x+1/2,-z+1/2,+1 
8 x+1/2,y+1/2,-z+1/2,+1 
9 x+1/2,-y+1/2,-z+1/2,-1 
10 -x+1/2,y+1/2,-z+1/2,-1 
11 y+1/2,x+1/2,-z+1/2,-1 
12 -y+1/2,-x+1/2,-z+1/2,-1 
13 -x,y,z,-1 
14 x,-y,z,-1 
15 -y,-x,z,-1 
16 y,x,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
Mn1_1 Mn 0.00000 0.50000 0.25000 1
Mn1_2 Mn 0.50000 0.00000 0.75000 1
Tb1 Tb 0.00000 0.00000 0.00000 1
Ge1_1 Ge 0.00000 0.00000 0.3744(14) 1
Ge1_2 Ge 0.00000 0.00000 0.6256(14) 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(2) 0,0,mz 2.3(2) ? ?
Mn1_2 0.0 0.0 -2.3(2) 0,0,mz 2.3(2) ? ?
Tb1 0.0 0.0 7.8(3) 0,0,mz 7.8(3) ? ?

