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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9008443.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_9008443
_chemical_name 'LiVSi2O6'
loop_
_publ_author_name
'Redhammer G J'
'Roth G'
_journal_name_full "Zeitschrift fur Kristallographie"
_journal_volume 219
_journal_year 2004
_journal_page_first 278
_journal_page_last 294
_publ_section_title
;
 Structural variation and crystal chemistry of LiMe3+Si2O6 clinopyroxenes
 Me3+ = Al, Ga, Cr, V, Fe, Sc, and In
 Sample: LiV
;
_chemical_formula_sum 'Li V Si2 O6'
_cell_length_a 9.657
_cell_length_b 8.623
_cell_length_c 5.287
_cell_angle_alpha 90
_cell_angle_beta 110.15
_cell_angle_gamma 90
_cell_volume 413.314
_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
_atom_site_Uiso_or_equiv
Li   0.00000   0.26780   0.25000   0.01240
V   0.00000   0.90589   0.25000   0.00230
Si   0.29678   0.09058   0.26850   0.00240
O1   0.11700   0.08580   0.15530   0.00380
O2   0.36890   0.25990   0.32730   0.00720
O3   0.35570  -0.00230   0.05680   0.00770