#\#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"

_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     450
_experiment_temperature     11.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mY1- 1 1 . primary 5 .

_exptl_crystal_magnetic_properties_details
;
NPD
This sample was annealed at 655 C, density modulation between Tb and Ge was detected
Atomic parameters refined from data collected at 293 K.
This magnetic structure occurs between TN=450K and T1=9.5K
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep
;

_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 [1 0 0]

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


_space_group_magn.number_BNS  52.318
_space_group_magn.name_BNS  "P_B n n a"
_space_group_magn.point_group_name  "mmm1'"
_space_group_magn.point_group_number  "8.2.25"
_cell_length_a                 8.1292
_cell_length_b                 17.73227
_cell_length_c                 5.11886
_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+1/2,+1 
4 x,-y,-z,+1 
5 -x+1/2,-y+1/2,-z,+1 
6 x+1/2,-y+1/2,z+1/2,+1 
7 x+1/2,y+1/2,-z+1/2,+1 
8 -x+1/2,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+1/2,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
Tb1 Tb 0.00000 0.1220 0.25000 0.83
Tb2 Tb 0.50000 0.1280 0.25000 0.17
Ge1 Ge 0.00000 0.03760 0.75000 1.
Ge2 Ge 0.50000 0.04330 0.75000 1.
Ge3 Ge 0.00000 0.21300 0.75000 1.
Ge4 Ge 0.50000 0.20450 0.75000 1.
Ge5 Ge 0.34770 0.12520 0.25000 0.83
Ge6 Ge 0.84770 0.12480 0.25000 0.17
Fe1 Fe 0.25000 0.25000 0.00000 1.
Fe2 Fe 0.25080 0.00000 0.00000 1.
Fe3 Fe 0.25080 0.12400 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
Fe1 2. 0.0 0.0 mx,my,mz 2. ? ?
Fe2 2. 0.0 0.0 mx,0,0 2. ? ?
Fe3 2. 0.0 0.0 mx,my,0 2. ? ?

