#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001088.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_9001088
_chemical_name 'Phenakite'
loop_
_publ_author_name
'Downs J W'
'Gibbs G V'
_journal_name_full "American Mineralogist"
_journal_volume 72
_journal_year 1987
_journal_page_first 769
_journal_page_last 777
_publ_section_title
;
 An exploratory examination of the electron density and electrostatic potential
 of phenakite
;
_chemical_formula_sum 'Si Be2 O4'
_cell_length_a 12.472
_cell_length_b 12.472
_cell_length_c 8.251
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1111.500
_symmetry_space_group_name_H-M 'R -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.19562   0.98402   0.74990
Be1   0.19430   0.98410   0.41560
Be2   0.19410   0.98220   0.08460
O1   0.20975   0.12125   0.75030
O2   0.33382   0.00040   0.74991
O3   0.12223   0.91217   0.91497
O4   0.12228   0.91342   0.58495