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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009257.cif $
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#
# 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_9009257
_chemical_name 'Kieserite'
loop_
_publ_author_name
'Hawthorne F C'
'Groat L A'
'Raudsepp M'
'Ercit T S'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Abhandlungen"
_journal_volume 157
_journal_year 1987
_journal_page_first 121
_journal_page_last 132
_publ_section_title
;
 Kieserite, Mg(SO4)(H2O), a titanite-group mineral
 Locality: Wathlingen, Hanover, Germany
;
_chemical_formula_sum 'Mg S O5 H2'
_cell_length_a 6.891
_cell_length_b 7.624
_cell_length_c 7.645
_cell_angle_alpha 90
_cell_angle_beta 117.70
_cell_angle_gamma 90
_cell_volume 355.614
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Mg   0.00000   0.50000   0.00000   0.00950
S   0.00000   0.15490   0.25000   0.00790
O1   0.17610   0.04470   0.39430   0.01460
O2   0.09160   0.26760   0.14910   0.01280
Ow3   0.00000   0.63530   0.25000   0.01200
H   0.12000   0.69300   0.29600   0.01000