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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/1/1011265.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_1011265
_chemical_name_systematic          'Zirconium silicate'
_chemical_name_mineral             'Zircon'
_chemical_compound_source          'from Ural, USSR'
_chemical_formula_structural       'Zr (Si O4)'
_chemical_formula_sum              'O4 Si Zr'
_publ_section_title                'The crystalline structure of zircon.'
_publ_author_name                  'Binks, W'
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_coden_ASTM                MIASA6
_journal_volume                    21
_journal_year                      1926
_journal_page_first                176
_journal_page_last                 187
_cell_length_a                     6.58
_cell_length_b                     6.58
_cell_length_c                     5.93
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       256.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.63
_symmetry_space_group_name_H-M     'I 41/a m d S'
_symmetry_Int_Tables_number        141
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  'x,1/2+y,1/4-z'
  '-x,1/2-y,1/4-z'
  '-x,y,z'
  'x,-y,z'
  '-x,1/2+y,1/4-z'
  'x,1/2-y,1/4-z'
  'y,x,-z'
  '-y,-x,-z'
  'y,1/2+x,1/4+z'
  '-y,1/2-x,1/4+z'
  '-y,x,-z'
  'y,-x,-z'
  '-y,1/2+x,1/4+z'
  'y,1/2-x,1/4+z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,y,3/4-z'
  '1/2-x,-y,3/4-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,y,3/4-z'
  '1/2+x,-y,3/4-z'
  '1/2+y,1/2+x,1/2-z'
  '1/2-y,1/2-x,1/2-z'
  '1/2+y,x,3/4+z'
  '1/2-y,-x,3/4+z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,x,3/4+z'
  '1/2+y,-x,3/4+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Zr4+   4.000
  Si4+   4.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Zr1   Zr4+   4 a 0. 0. 0. 1.  0 d
  Si1   Si4+   4 b 0. 0. 0.5 1.  0 d
  O1    O2-   16 h 0. 0.21 0.33 1.  0 d