#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000143.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_9000143
_chemical_name 'Jadeite'
loop_
_publ_author_name
'Prewitt C T'
'Burnham C W'
_journal_name_full "American Mineralogist"
_journal_volume 51
_journal_year 1966
_journal_page_first 956
_journal_page_last 975
_publ_section_title
;
 The crystal structure of jadeite, NaAlSi2O6
;
_chemical_formula_sum 'Na Al Si2 O6'
_cell_length_a 9.418
_cell_length_b 8.562
_cell_length_c 5.219
_cell_angle_alpha 90
_cell_angle_beta 107.58
_cell_angle_gamma 90
_cell_volume 401.189
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na   0.00000   0.30090   0.25000
Al   0.00000   0.09400   0.75000
Si   0.29060   0.09340   0.22770
O1   0.10900   0.07630   0.12750
O2   0.36080   0.26300   0.29290
O3   0.35330   0.00700   0.00580