#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 12/22/2024
# From a file submitted by O. Zaharko

data_5yOhtAoR
_audit_creation_date            2024-12-22
_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 Fe6 Ge6"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "J. Magn. Magn. Mater."
_citation_journal_volume        187
_citation_page_first            293
_citation_page_last             308
_citation_article_id            .
_citation_year                  1998
_citation_DOI                   10.1016/S0304-8853(98)00148-6

loop_
_citation_author_name
"O. Zaharko"
"P. Schobinger-Papamantellos"
"C. Ritter"
"J. Rodriguez-Carvajal"
"K. H. J. Buschow"

_temperature_position_structure         293
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD   86196
_atomic_positions_source_other               .

_transition_temperature     9.5
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1- 1 1 . primary 8 .
mY2+ 1 1 . primary 5 .
mY3+ 1 1 . primary 5 .
mGM3+ 1 1 . primary 8 .
mGM1- 1 1 . secondary 5 no
mGM2+ 1 1 . secondary 8 no
mGM4- 1 1 . secondary 3 no
mY4- 1 1 . secondary 6 no


_exptl_crystal_magnetic_properties_details
;
NPD
This sample was annealed at 655 deg C, density modulation between Tb and Ge was detected
Atomic parameters refined from the data collected at 293 K.
This magnetic structure with ordering of Tb moments occurs below T1=9.5K
FM is symmetry allowed on the plane xz. FM component only present in the Tb arrangement along x.
;

_active_magnetic_irreps_details
;
2k magnetic structure k1=0 and k2= (0 1 0) (or (1,0,0))
4 different primary irreps with respect to the parent Cmcm space group are involved in the spin arrangement: mY1- for the Fe spins, while the Tb ordering involves three irreps: mY2+, mY3+ and mGM3+ (this one ferromagnetic), all with similar weights.
;

_parent_space_group.name_H-M_alt  'C m c m'
_parent_space_group.IT_number                       63
_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 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  7.26
_space_group_magn.name_BNS  "P c'"
_space_group_magn.point_group_name  "m'"
_space_group_magn.point_group_number  "4.3.11"
_cell_length_a                 8.12920
_cell_length_b                 17.73230
_cell_length_c                 5.11890
_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 

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
Tb1_1 Tb 0.00000 0.12200 0.25000 0.83
Tb1_2 Tb 0.50000 0.62200 0.25000 0.83
Tb2_1 Tb 0.00000 0.62800 0.25000 0.17
Tb2_2 Tb 0.50000 0.12800 0.25000 0.17
Ge1_1 Ge 0.00000 0.96240 0.25000 1.
Ge1_2 Ge 0.50000 0.46240 0.25000 1.
Ge2_1 Ge 0.00000 0.45670 0.25000 1.
Ge2_2 Ge 0.50000 0.95670 0.25000 1.
Ge3_1 Ge 0.00000 0.78700 0.25000 1.
Ge3_2 Ge 0.50000 0.28700 0.25000 1.
Ge4_1 Ge 0.00000 0.29550 0.25000 1.
Ge4_2 Ge 0.50000 0.79550 0.25000 1.
Ge5_1 Ge 0.34770 0.12520 0.25000 0.83
Ge5_2 Ge 0.65230 0.87480 0.75000 0.83
Ge5_3 Ge 0.84770 0.62520 0.25000 0.83
Ge5_4 Ge 0.15230 0.37480 0.75000 0.83
Ge6_1 Ge 0.84770 0.12480 0.25000 0.17
Ge6_2 Ge 0.15230 0.87520 0.75000 0.17
Ge6_3 Ge 0.34770 0.62480 0.25000 0.17
Ge6_4 Ge 0.65230 0.37520 0.75000 0.17
Fe1_1 Fe 0.25000 0.25000 0.00000 1.
Fe1_2 Fe 0.75000 0.75000 0.50000 1.
Fe1_3 Fe 0.75000 0.25000 0.50000 1.
Fe1_4 Fe 0.25000 0.75000 0.00000 1.
Fe2_1 Fe 0.25080 0.00000 0.00000 1.
Fe2_2 Fe 0.74920 0.00000 0.50000 1.
Fe2_3 Fe 0.75080 0.50000 0.00000 1.
Fe2_4 Fe 0.24920 0.50000 0.50000 1.
Fe3_1 Fe 0.74920 0.87600 0.25000 1.
Fe3_2 Fe 0.25080 0.12400 0.75000 1.
Fe3_3 Fe 0.24920 0.37600 0.25000 1.
Fe3_4 Fe 0.75080 0.62400 0.75000 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
Tb1_1 8.8 0.0 3.7 mx,my,mz 9.55 ? ?
Tb1_2 -1.8 0.0 -3.7 mx,my,mz 4.11 ? ?
Tb2_1 8.8 0.0 -3.7 mx,my,mz 9.55 ? ?
Tb2_2 -1.8 0.0 3.7 mx,my,mz 4.11 ? ?
Fe1_1 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe1_2 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe1_3 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe1_4 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe2_1 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe2_2 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe2_3 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe2_4 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe3_1 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe3_2 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe3_3 2.29 0.0 0.0 mx,my,mz 2.29 ? ?
Fe3_4 -2.29 0.0 0.0 mx,my,mz 2.29 ? ?

