#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004183.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_9004183
_chemical_name 'Blodite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 23
_journal_year 1985
_journal_page_first 669
_journal_page_last 674
_publ_section_title
;
 Refinement of the crystal structure of bloedite: Structural similarities
 in the [M(T_4)2_n] finite-cluster minerals
;
_chemical_formula_sum 'Na2 Mg S2 O12 H8'
_cell_length_a 11.126
_cell_length_b 8.242
_cell_length_c 5.539
_cell_angle_alpha 90
_cell_angle_beta 100.84
_cell_angle_gamma 90
_cell_volume 498.866
_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
Na   0.36178   0.07050   0.13050
Mg   0.00000   0.00000   0.00000
S   0.13640   0.29075   0.36935
O1   0.26630   0.27120   0.34760
O2   0.08020   0.42140   0.20910
O3   0.07040   0.13720   0.30580
O4   0.13210   0.32830   0.62970
O5   0.16030   0.03780   0.87270
O6   0.08090   0.79080   0.17740
H5A   0.15300   0.11900   0.80200
H5B  -0.17500   0.03400   0.21500
H6A   0.46600   0.22600   0.75500
H6B  -0.13700   0.20200  -0.27600