#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007090.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_1007090
_chemical_name_systematic          'Hafnium germanate'
_chemical_formula_structural       'Hf Ge O4'
_chemical_formula_sum              'Ge Hf O4'
_publ_section_title                'Structure du germanate d'hafnium'
loop_
_publ_author_name                  'Durif, A'
_journal_name_full                 'Acta Crystallographica (1,1948-23,1967)'
_journal_coden_ASTM                ACCRA9
_journal_volume                    14
_journal_year                      1961
_journal_page_first                312
_journal_page_last                 312
_cell_length_a                     4.849
_cell_length_b                     4.849
_cell_length_c                     10.501
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       246.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'I 41/a S'
_symmetry_Int_Tables_number        88
_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'
  '-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-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
  Ge4+   4.000
  Hf4+   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
  Ge1   Ge4+   4 a 0. 0. 0. 1.  0 d
  Hf1   Hf4+   4 b 0. 0. 0.5 1.  0 d
  O1    O2-   16 f -1. -1. -1. 1.  0 dum