#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007488.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_9007488
_chemical_name 'Barysilite'
loop_
_publ_author_name
'Lajzerowicz J'
_journal_name_full "Acta Crystallographica"
_journal_volume 20
_journal_year 1965
_journal_page_first 357
_journal_page_last 363
_publ_section_title
;
 Etude par diffraction des rayons X et absorption infra-rouge
 de la barysilite, MnPb8.3Si2O7, et de composes isomorphes
;
_chemical_formula_sum 'Pb8 Mn Si6 O21'
_cell_length_a 9.821
_cell_length_b 9.821
_cell_length_c 38.38
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3205.878
_symmetry_space_group_name_H-M 'R -3 c'
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'
  'x,x-y,1/2+z'
  '2/3+x,1/3+x-y,5/6+z'
  '1/3+x,2/3+x-y,1/6+z'
  'y,x,1/2-z'
  '2/3+y,1/3+x,5/6-z'
  '1/3+y,2/3+x,1/6-z'
  '-x+y,y,1/2+z'
  '2/3-x+y,1/3+y,5/6+z'
  '1/3-x+y,2/3+y,1/6+z'
  '-x,-x+y,1/2-z'
  '2/3-x,1/3-x+y,5/6-z'
  '1/3-x,2/3-x+y,1/6-z'
  '-y,-x,1/2+z'
  '2/3-y,1/3-x,5/6+z'
  '1/3-y,2/3-x,1/6+z'
  'x-y,-y,1/2-z'
  '2/3+x-y,1/3-y,5/6-z'
  '1/3+x-y,2/3-y,1/6-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
_atom_site_Uiso_or_equiv
Pb1   0.25600   0.23600   0.03930   0.00633
Pb2   0.00000   0.00000   0.16290   0.01140
Mn   0.00000   0.00000   0.25000   0.00380
Si   0.68000   0.68000   0.04300   0.13932
O1   0.61000   0.00000   0.25000   0.00253
O2   0.79000   0.83000   0.01900  -0.00127
O3   0.73000   0.55000   0.05000   0.00380
O4   0.52000   0.60000   0.02300   0.01013