#\#CIF_2.0
# Created by the Bilbao Crystallographic Server
# http://www.cryst.ehu.es
# Date: 11/19/2017 17:09:54
# Database entry: 1.59 KTb3F12
# Cif-like file for the case 1.59


data_5yOhtAoR
_audit_creation_date            2017-11-19
_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                    'K Tb3 F1 2'
_chemical_formula_weight                 ?
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .


_citation_journal_abbrev        "Journal of Applied Physics"
_citation_journal_volume        91
_citation_page_first            8519
_citation_page_last             8521
_citation_article_id            .
_citation_year                  2002
_citation_DOI                   10.1063/1.1450828

loop_
_citation_author_name
"M. Guillot"
"M. El-Ghozzi"
"D. Avignant"
"G. Andre"
"F. Bouree"
"A. Cousson"





_atomic_positions_source_database_code_ICSD   51125
_atomic_positions_source_other               .

_transition_temperature     3.6
_experiment_temperature     1.4

loop_
_irrep_id
_irrep_dimension
_irrep_small_dimension
_irrep_direction_type
_irrep_action
_irrep_modes_number
_irrep_presence
? ? ? ? ? ? ?

_exptl_crystal_magnetic_properties_details
;
NPD
position structure from room temperature
;

_active_magnetic_irreps_details
;
1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep active: this means equivalence between the MSG and the irrep assignment.
Tb1 moment is symmetry-forced to be zero.
;

_parent_space_group.name_H-M_alt  'I  4/m'
_parent_space_group.IT_number                       87
_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  'a,b,c;1/2,0,0'


_space_group_magn.number_BNS  84.58
_space_group_magn.name_BNS  "P_I  4_2/m"
_space_group_magn.point_group_name  "4/m1'"
_space_group_magn.point_group_number  "11.2.36"
_cell_length_a                 7.71500
_cell_length_b                 7.71500
_cell_length_c                 7.53000
_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+1/2,x+1/2,z+1/2,+1
3 y+1/2,-x+1/2,z+1/2,+1
4 -x,-y,z,+1
5 -x,-y,-z,+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,y,-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+1/2,-1

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.00000 0.00000 0.00000 1
Tb1 Tb 0.00000 0.00000 0.50000 1
Tb2 Tb 0.00000 0.50000 0.25000 1
F1 F 0.34550 0.02000 0.00000 1
F2 F 0.23770 0.03350 0.68000 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
Tb1 0.0 0.0 0.0 0,0,0
Tb2 0.0 0.0 6.95(4) 0,0,mz

