#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007620.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_9007620
_chemical_name 'Hydromagnesite'
loop_
_publ_author_name
'Akao M'
'Iwai S'
_journal_name_full "Acta Crystallographica, Section B"
_journal_volume 33
_journal_year 1977
_journal_page_first 1273
_journal_page_last 1275
_publ_section_title
;
 The hydrogen bonding of hydromagnesite
;
_chemical_formula_sum 'Mg5 C4 O18 H10'
_cell_length_a 10.105
_cell_length_b 8.954
_cell_length_c 8.378
_cell_angle_alpha 90
_cell_angle_beta 114.44
_cell_angle_gamma 90
_cell_volume 690.118
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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   0.34502   0.06865   0.35897 ?
Mg11   0.34474   0.43518   0.49177 ?
Mg2   0.00000   0.00000   0.00000 ?
C1   0.08223   0.26599   0.27463 ?
C2   0.47277   0.33128   0.23558 ?
O-h   0.22455   0.97967   0.11721 ?
Ow1   0.24791   0.61189   0.30117 ?
Ow2   0.23813   0.92381   0.45921 ?
O1   0.00878   0.17176   0.16220 ?
O11   0.01677   0.37440   0.30587 ?
O2   0.22288   0.25692   0.35464 ?
O3   0.43075   0.19566   0.21587 ?
O4   0.49221   0.40165   0.37848 ?
O44   0.49778   0.39688   0.11400 ?
H1   0.23000   0.89600   0.11600   0.04306
H2   0.16300   0.63300   0.27800   0.04433
H3   0.28900   0.68400   0.35600   0.04179
H4   0.14500   0.91100   0.38500   0.05319
H5   0.24300   0.91500   0.56600   0.05446