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#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$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
_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  'F6CaTb'
_chemical_formula_sum            'Ca F6 Tb'
_[local]_cod_chemical_formula_sum_orig 'F6 Ca Tb'
_chemical_formula_structural  'CaTbF6'
_chemical_formula_iupac  'CaTbF6'
_chemical_formula_weight  312.99
_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  5.26960(10)
_cell_length_b  5.26960(10)
_cell_length_c  7.7105(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  214.106(8)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  4.85
_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
  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
_cod_database_code 2100002