#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000125.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_9000125
_chemical_name 'Tunellite'
loop_
_publ_author_name
'Clark J R'
_journal_name_full "American Mineralogist"
_journal_volume 49
_journal_year 1964
_journal_page_first 1549
_journal_page_last 1568
_publ_section_title
;
 The crystal structure of tunellite, SrB6O9(OH)2.3H2O
;
_chemical_formula_sum 'Sr B6 O14 H8'
_cell_length_a 14.390
_cell_length_b 8.213
_cell_length_c 9.934
_cell_angle_alpha 90
_cell_angle_beta 114.03
_cell_angle_gamma 90
_cell_volume 1072.298
_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   0.16210   0.05620   0.19490   0.01558
B1   0.19410   0.15090   0.84900   0.01659
B2   0.19400   0.15610   0.58540   0.01115
B3   0.04290   0.24750   0.62480   0.01570
B4   0.18670   0.45500   0.22020   0.00950
B5   0.25340   0.38890   0.48650   0.01608
B6   0.25130   0.38830   0.02210   0.01520
O1   0.19440   0.02540   0.95250   0.02115
O2   0.20280   0.03760   0.48230   0.02318
O-H3   0.05010   0.68060   0.42570   0.02520
Wat4   0.99820   0.16820   0.23830   0.03090
O-H5   0.09050   0.53600   0.17210   0.02660
O6   0.24170   0.79880   0.39890   0.01849
O7   0.20790   0.34130   0.33960   0.01976
O8   0.23820   0.78530   0.08150   0.01938
O9   0.19410   0.34980   0.10110   0.01862
O10   0.08890   0.21170   0.77280   0.01621
O11   0.08710   0.21020   0.53440   0.01558
Wat12   0.02080   0.84010   0.06760   0.02014
Wat13   0.13920   0.58020   0.71170   0.02546
O14   0.22720   0.08280   0.73380   0.01343