#------------------------------------------------------------------------------
#$Date: 2022-09-14 20:01:49 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/00/2100003.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_2100003
loop_
_publ_author_name
'Josse, Michaël'
'Dubois, Marc'
'El-Ghozzi, Malika'
'Cellier, Joël'
'Avignant, Daniel'
_publ_section_title
;
 Anti-KSbF₆ structure of CaTbF₆ and CdTbF₆:
 a confirmation of the singular crystal chemistry of Tb⁴⁺ 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          CdTbF6
_chemical_formula_moiety         F6CdTb
_chemical_formula_structural     CdTbF6
_chemical_formula_sum            'Cd F6 Tb'
_chemical_formula_weight         385.33
_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                   5.18770(2)
_cell_length_b                   5.18770(2)
_cell_length_c                   7.69451(3)
_cell_measurement_temperature    293
_cell_volume                     207.0770(10)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    6.18
_cod_depositor_comments
;
 Correcting the _atom_site_type_symbol data item value by changing it
 from 'Ca' to 'Cd' after consulting the original publication.

 Antanas Vaitkus,
 2018-04-20
;
_cod_original_formula_sum        'F6 Cd Tb'
_cod_database_code               2100003
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
Cd 0 0 .5 1.67(4) Biso 1 Cd
Tb .5 .5 .75 1.39(4) Biso 1 Tb
F1 .2000(10) .2620(10) .3224(8) 2.10(10) Biso 1 F
F2 .351(3) .693(2) .5 2.10(10) Biso 1 F
