#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004343.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_9004343
_chemical_name 'Tunellite'
loop_
_publ_author_name
'Burns P C'
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 32
_journal_year 1994
_journal_page_first 895
_journal_page_last 902
_publ_section_title
;
 Hydrogen bonding in tunellite
;
_chemical_formula_sum 'Sr B6 H8 O14'
_cell_length_a 14.415
_cell_length_b 8.213
_cell_length_c 9.951
_cell_angle_alpha 90
_cell_angle_beta 114.05
_cell_angle_gamma 90
_cell_volume 1075.832
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Sr   0.16216   0.05603   0.19511 ?
B1   0.19250   0.15480   0.84740 ?
B2   0.19230   0.15900   0.58540 ?
B3   0.04320   0.24890   0.62860 ?
B4   0.19090   0.45300   0.21900 ?
B5   0.25370   0.39160   0.48320 ?
B6   0.25210   0.38810   0.02270 ?
H1   0.05700   0.65900   0.33700   0.05700
H2   0.95000   0.07700   0.20400   0.05700
H3   0.02200   0.16500   0.34000   0.05700
H4   0.03800   0.46100   0.13900   0.05700
H5   0.04500   0.73000   0.08400   0.05700
H6  -0.01300   0.83200   0.13200   0.05700
H7   0.11100   0.63000   0.77400   0.05700
H8   0.10500   0.60400   0.61200   0.05700
O1   0.19330   0.02870   0.95130 ?
O2   0.20110   0.04130   0.48140 ?
O-h3   0.05130   0.68180   0.42740 ?
OW4   0.99960   0.17120   0.23550 ?
O-h5   0.09430   0.53460   0.17590 ?
O6   0.24270   0.80110   0.39950 ?
O7   0.20850   0.34050   0.34090 ?
O8   0.23810   0.78840   0.07970 ?
O9   0.19470   0.35120   0.09930 ?
O10   0.08950   0.21260   0.77400 ?
O11   0.08660   0.20930   0.53380 ?
OW12   0.02210   0.84040   0.06930 ?
OW13   0.14100   0.57940   0.71440 ?
O14   0.22590   0.07940   0.73570 ?