#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9003816.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_9003816
_chemical_name 'Zoltaiite'
loop_
_publ_author_name
'Bartholomew P R'
'Mancini F'
'Cahill C L'
'Harlow G E'
'Bernhardt H J'
_journal_name_full "American Mineralogist"
_journal_volume 90
_journal_year 2005
_journal_page_first 1655
_journal_page_last 1660
_publ_section_title
;
 Zoltaiite, a new barium-vanadium nesosubsilicate mineral from British Columbia:
 Description and crystal structure
 Sample: Wigwam Pb-Zn deposit, southeast of Revelstoke, British Columbia, Canada
;
_chemical_formula_sum 'Ba V11.748 Fe.48 Mg.03 Cr.336 Al.018 Ti1.31 Si2 O27'
_cell_length_a 7.601
_cell_length_b 7.601
_cell_length_c 9.219
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 461.271
_symmetry_space_group_name_H-M 'P -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,-x+y,-z'
  '-x+y,-x,z'
  '-x,-y,-z'
  '-y,x-y,z'
  'x-y,x,-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
Ba   0.00000   0.00000   0.50000   1.00000   0.00930
V3+1   0.20700   0.95570   0.13770   0.91500   0.00650
Fe3+1   0.20700   0.95570   0.13770   0.06000   0.00650
Fe2+1   0.20700   0.95570   0.13770   0.02000   0.00650
Mg1   0.20700   0.95570   0.13770   0.00500   0.00650
V3+2   0.08690   0.45890   0.63550   0.92800   0.00720
Cr2   0.08690   0.45890   0.63550   0.05600   0.00720
Al2   0.08690   0.45890   0.63550   0.00300   0.00720
V4+3   0.33333   0.66667   0.35780   0.34500   0.00820
Ti4+3   0.33333   0.66667   0.35780   0.65500   0.00820
Si   0.33333   0.66667   0.94090   1.00000   0.00670
O1   0.17770   0.74550   0.99080   1.00000   0.00730
O2   0.29570   0.44740   0.50430   1.00000   0.00920
O3   0.66667   0.33333   0.24030   1.00000   0.00770
O4   0.03850   0.22550   0.75110   1.00000   0.00760
O5   0.09520   0.48390   0.25930   1.00000   0.00800
O6   0.00000   0.00000   0.00000   1.00000   0.00660