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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100003.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
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first 01
_journal_page_last  10
_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.
;
loop_
_publ_author_name
  'Josse, Micha\"el'
  'El-Ghozzi, Malika'
  "Dubois, Marc"
  "Cellier, Jo\"el"
  'Avignant, Daniel'
_chemical_formula_moiety  'F6CdTb'
_chemical_formula_sum  'F6 Cd Tb'
_chemical_formula_structural  'CdTbF6'
_chemical_formula_iupac  'CdTbF6'
_chemical_formula_weight  385.33
_symmetry_cell_setting  tetragonal
_symmetry_space_group_name_H-M  'P 42/m'
_symmetry_space_group_name_Hall  '-P 4c'
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'
_cell_length_a  5.18770(2)
_cell_length_b  5.18770(2)
_cell_length_c  7.69451(3)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  207.0770(10)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  6.18
_diffrn_ambient_temperature  295
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 Ca
  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