#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007552.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_9007552
_chemical_name 'Pentahydrite'
loop_
_publ_author_name
'Baur W H'
'Rolin J L'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 28
_journal_year 1972
_journal_page_first 1448
_journal_page_last 1455
_publ_section_title
;
 Salt hydrates. IX. The comparison of the crystal structure of magnesium sulfate
 pentahydrate with copper sulfate pentahydrate and magnesium chromate pentahydra
 Locality: synthetic
;
_chemical_formula_sum 'Mg S O9 H10'
_cell_length_a 6.314
_cell_length_b 10.505
_cell_length_c 6.030
_cell_angle_alpha 81.12
_cell_angle_beta 109.82
_cell_angle_gamma 105.08
_cell_volume 362.347
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,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
Mg1   0.00000   0.00000   0.00000 ?
Mg2   0.50000   0.50000   0.00000 ?
S   0.03710   0.28970   0.66240 ?
O1   0.94640   0.15090   0.73090 ?
O2   0.26800   0.33440   0.83310 ?
O3   0.88080   0.37110   0.66100 ?
O4   0.05900   0.29860   0.42560 ?
O5   0.82790   0.07680   0.16390 ?
O6   0.30860   0.11390   0.18480 ?
O7   0.47450   0.40420   0.31530 ?
O8   0.75670   0.40770   0.03180 ?
O9   0.45890   0.13240   0.66990 ?
H54   0.90800   0.14600   0.26000   0.03166
H59   0.72400   0.02300   0.23000   0.03166
H62   0.33100   0.19200   0.11700   0.02406
H69   0.33600   0.14800   0.32100   0.02406
H73   0.56200   0.40200   0.41100   0.02280
H74   0.35000   0.39200   0.34900   0.02280
H83   0.78600   0.38500   0.91900   0.02660
H84   0.84200   0.37400   0.17900   0.02660
H91   0.58500   0.11500   0.73300   0.02786
H92   0.43300   0.20100   0.70600   0.02786