#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000795.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_9000795
_chemical_name 'Amesite'
loop_
_publ_author_name
'Anderson C S'
'Bailey S W'
_journal_name_full "American Mineralogist"
_journal_volume 66
_journal_year 1981
_journal_page_first 185
_journal_page_last 195
_publ_section_title
;
 A new cation ordering pattern in amesite-2H2
;
_chemical_formula_sum 'Si1.026 Al1.989 Mg1.962 O9 H4'
_cell_length_a 5.307
_cell_length_b 9.195
_cell_length_c 14.067
_cell_angle_alpha 90.1
_cell_angle_beta 90.3
_cell_angle_gamma 90
_cell_volume 686.429
_symmetry_space_group_name_H-M 'C 1'
loop_
_symmetry_equiv_pos_as_xyz
  '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_occupancy
_atom_site_Uiso_or_equiv
Si1   0.00000   0.00000   0.04100   0.51300 ?
Al1   0.00000   0.00000   0.04100   0.48600 ?
Si2   0.00230   0.33390   0.04250   0.51300 ?
Al2   0.00230   0.33390   0.04250   0.48600 ?
Si11   0.01360   0.00580   0.54100   0.51300 ?
Al11   0.01360   0.00580   0.54100   0.48600 ?
Si22   0.50730   0.17090   0.54240   0.51300 ?
Al22   0.50730   0.19090   0.50240   0.48600 ?
Mg1   0.16950   0.16830   0.23770   0.65400 ?
Al1   0.16950   0.16830   0.23770   0.33900 ?
Mg2   0.66980  -0.00310   0.23740   0.65400 ?
Al2   0.66980  -0.00310   0.23740   0.33900 ?
Mg3   0.67630   0.33350   0.23770   0.65400 ?
Al3   0.67630   0.33350   0.23770   0.33900 ?
Mg11   0.34340   0.34000   0.73800   0.65400 ?
Al11   0.34340   0.34000   0.73800   0.33900 ?
Mg22   0.34330   0.01150   0.73670   0.65400 ?
Al22   0.34330   0.01150   0.73670   0.33900 ?
Mg33   0.83720   0.17500   0.73810   0.65400 ?
Al33   0.83720   0.17500   0.73810   0.33900 ?
O1  -0.00470  -0.00190   0.15850   1.00000 ?
O2   0.00660   0.33510   0.16590   1.00000 ?
O3   0.97680   0.16030   0.00250   1.00000 ?
O4   0.72280  -0.04220   0.00050   1.00000 ?
O5   0.70270   0.38270   0.00230   1.00000 ?
O11   0.02740   0.00920   0.65820   1.00000 ?
O22   0.49790   0.16570   0.66590   1.00000 ?
O33   0.28620   0.04780   0.49830   1.00000 ?
O44   0.43300   0.34470   0.50360   1.00000 ?
O55   0.80710   0.12290   0.50310   1.00000 ?
O-h1   0.50710   0.16070   0.16560   1.00000 ?
O-h2   0.34470   0.00040   0.30620   1.00000 ?
O-h3   0.33880   0.33730   0.30710   1.00000 ?
O-h4   0.83450   0.15940   0.30670   1.00000 ?
O-h11  -0.00090   0.35230   0.66590   1.00000 ?
O-h22   0.68590   0.35620   0.80570   1.00000 ?
O-h33   0.65730   0.00780   0.80740   1.00000 ?
O-h44   0.18150   0.16510   0.80700   1.00000 ?
H1   0.50700   0.15600   0.10400   1.00000   0.02533
H2   0.30400   0.03700   0.36500   1.00000   0.02533
H3   0.36200   0.34600   0.36500   1.00000   0.02533
H4   0.81800   0.13300   0.36800   1.00000   0.02533
H11   0.98200   0.38700   0.62400   1.00000   0.02533
H22   0.68900   0.38200   0.86900   1.00000   0.02533
H33   0.67700   0.96200   0.86300   1.00000   0.02533
H44   0.14500   0.15100   0.87100   1.00000   0.02533