#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007845.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_9007845
_chemical_name 'Ba3CaCuSi6O17'
loop_
_publ_author_name
'Angel R J'
'Ross N L'
'Finger L W'
'Hazen R M'
_journal_name_full "Acta Crystallographica, Section C"
_journal_volume 46
_journal_year 1990
_journal_page_first 2028
_journal_page_last 2030
_publ_section_title
;
 Ba3CaCuSi6O17: a new {1B,11}[4Si6O17] chain silicate
;
_chemical_formula_sum 'Ca Ba3 Cu Si6 O17'
_cell_length_a 14.405
_cell_length_b 16.077
_cell_length_c 7.088
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1641.504
_symmetry_space_group_name_H-M 'B 2 m b'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  'x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  'x,-y,-z'
  '1/2+x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Ca   0.00540   0.00000   0.00000   0.96600   0.00849
Ba   0.00540   0.00000   0.00000   0.03400   0.00849
Ba1  -0.00400   0.25000   0.03070   0.96600   0.00874
Ca1  -0.00400   0.25000   0.03070   0.03400   0.00874
Ba2   0.25000   0.11250   0.25870   1.00000   0.01064
Cu   0.52710   0.00000   0.00000   1.00000   0.00925
Si1  -0.08090   0.25000   0.52150   1.00000   0.00861
Si2   0.12340   0.25000   0.54040   1.00000   0.01216
Si3   0.16400   0.09420   0.78440   1.00000   0.01127
Si4   0.37530   0.08900   0.76740   1.00000   0.01026
O1   0.02060   0.25000   0.62650   1.00000   0.01646
O2   0.17290   0.16890   0.62200   1.00000   0.01520
O3   0.27110   0.07490   0.84860   1.00000   0.01900
O4   0.41790   0.16890   0.88310   1.00000   0.03546
O5  -0.15570   0.25000   0.67910   1.00000   0.01646
O6   0.13170   0.25000   0.30550   1.00000   0.01267
O7   0.12200   0.00940   0.69550   1.00000   0.02026
O8   0.10430   0.12140   0.96630   1.00000   0.01013
O9   0.37790   0.10740   0.54610   1.00000   0.00760
O10   0.43460  -0.00630   0.20040   1.00000   0.01900