#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 10/10/2024

data_5yOhtAoR
_audit_creation_date            2024-10-10
_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                    "Tb2 O3"
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         ?


_citation_journal_abbrev        "Colloques Internationaux du CNRS n. 180, Les elements de terres rares. Paris-Grenoble"
_citation_journal_volume        "Tome II"
_citation_page_first            293
_citation_page_last             311
_citation_article_id            .
_citation_year                  1969
_citation_DOI                   .

loop_
_citation_author_name
"S. Quezel"
"E. F. Bertaut"
"G. Quezelt"

_temperature_position_structure         4.2
_temperature_atom_positions             .
_temperature_non-magn_atom_positions    .
_temperature_cell_parameters            .

_atomic_positions_source_database_code_ICSD  .
_atomic_positions_source_other               .

_transition_temperature     2.4
_experiment_temperature     1.5

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
mH1- 1 1 . primary 3 .

_exptl_crystal_magnetic_properties_details
;
NPD
Position temperature from a measurement at 4.2K
;

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

_parent_space_group.name_H-M_alt  'I a -3'
_parent_space_group.IT_number                       206
_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]

_parent_space_group.child_transform_Pp_abc  'a,b,c;0,0,0'
_space_group_magn.transform_BNS_Pp_abc  'b,-a,c;1/4,3/4,1/4'


_space_group_magn.number_BNS  205.36
_space_group_magn.name_BNS  "P_I a -3"
_space_group_magn.point_group_name  "m-31'"
_space_group_magn.point_group_number  "29.2.110"
_cell_length_a                 10.72800
_cell_length_b                 10.72800
_cell_length_c                 10.72800
_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+1/2,-z+1/2,+1 
3 x+1/2,-y+1/2,-z,+1 
4 -x+1/2,-y,z+1/2,+1 
5 -y,z+1/2,-x+1/2,+1 
6 -z+1/2,-x,y+1/2,+1 
7 -z,x+1/2,-y+1/2,+1 
8 y+1/2,-z+1/2,-x,+1 
9 z,x,y,+1 
10 y,z,x,+1 
11 z+1/2,-x+1/2,-y,+1 
12 -y+1/2,-z,x+1/2,+1 
13 -x+1/2,-y+1/2,-z+1/2,+1 
14 x+1/2,-y,z,+1 
15 -x,y,z+1/2,+1 
16 x,y+1/2,-z,+1 
17 y+1/2,-z,x,+1 
18 z,x+1/2,-y,+1 
19 z+1/2,-x,y,+1 
20 -y,z,x+1/2,+1 
21 -z+1/2,-x+1/2,-y+1/2,+1 
22 -y+1/2,-z+1/2,-x+1/2,+1 
23 -z,x,y+1/2,+1 
24 y,z+1/2,-x,+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+1/2,-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 0.25000 0.25000 0.25000 1
Tb2 Tb 0.9646 0.00000 0.25000 1
O1 O 0.387 0.152 0.381 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 0.1 0.1 0.1 mx,mx,mx 0.17 ? ?
Tb2 0.0 3.7 2.01 0,my,mz 4.2 ? ?

