#------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/00/2100002.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2100002
loop_
_publ_author_name
'Josse, Micha\"el'
'Dubois, Marc'
'El-Ghozzi, Malika'
'Cellier, Jo\"el'
'Avignant, Daniel'
_publ_section_title
;
 Anti-KSbF~6~ structure of CaTbF~6~ and CdTbF~6~:
 a confirmation of the singular crystal chemistry of Tb^4+^ in fluorides
;
_journal_coden_ASTM              ASBSDK
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Science
;
_journal_page_first              1
_journal_page_last               10
_journal_paper_doi               10.1107/s0108768104026928
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          CaTbF6
_chemical_formula_moiety         F6CaTb
_chemical_formula_structural     CaTbF6
_chemical_formula_sum            'Ca F6 Tb'
_chemical_formula_weight         312.99
_space_group_IT_number           84
_space_group_name_Hall           '-P 4c'
_space_group_name_H-M_alt        'P 42/m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4c'
_symmetry_space_group_name_H-M   'P 42/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.26960(10)
_cell_length_b                   5.26960(10)
_cell_length_c                   7.7105(2)
_cell_measurement_temperature    293
_cell_volume                     214.106(8)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    4.85
_cod_original_formula_sum        'F6 Ca Tb'
_cod_database_code               2100002
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
3 -x,-y,z
4 x,y,-z
5 '-y, x, z+1/2'
6 'y, -x, 1/2+z'
7 'y, -x, 1/2-z'
8 '-y, x, 1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Ca 0 0 .5 1.85(5) Biso 1 Ca
Tb .5 .5 .75 -0.03(2) Biso 1 Tb
F1 .2103(2) .2550(2) .31840(10) 1.54(2) Biso 1 F
F2 .3440(4) .6769(4) .5 1.18(3) Biso 1 F