#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000936.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_9000936
_chemical_name 'Davreuxite'
loop_
_publ_author_name
'Sahl K'
'Jones P G'
'Sheldrick G M'
_journal_name_full "American Mineralogist"
_journal_volume 69
_journal_year 1984
_journal_page_first 783
_journal_page_last 787
_publ_section_title
;
 The crystal structure of davreuxite, MnAl6Si4O17(OH)2
;
_chemical_formula_sum 'Mn Si4 Al6 O19 H2'
_cell_length_a 9.518
_cell_length_b 5.753
_cell_length_c 12.040
_cell_angle_alpha 90
_cell_angle_beta 108
_cell_angle_gamma 90
_cell_volume 627.008
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+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
Mn   0.35160   0.25000   0.63510 ?
Si1   0.81150   0.25000   0.47960 ?
Si2   0.49620   0.25000   0.39110 ?
Si3   0.68230   0.25000   0.09660 ?
Si4   0.89920   0.25000   0.85740 ?
Al1   0.31960   0.25000   0.90320 ?
Al2   0.09060   0.25000   0.13400 ?
Al3   0.93870   0.99530   0.30750 ?
Al4   0.40260   0.00080   0.15470 ?
O1   0.98440   0.25000   0.99150   0.01500
O2   0.47420   0.25000   0.85480   0.01000
O3   0.52790   0.25000   0.12680   0.01100
O4   0.72300   0.25000   0.83750   0.01000
O-H5   0.36560   0.25000   0.45350   0.01200
O6   0.64990   0.25000   0.49920   0.01100
O7   0.27860   0.25000   0.15010   0.01000
O8   0.82900   0.25000   0.20970   0.01200
O9   0.94320   0.25000   0.60470   0.01100
O-H10   0.05550   0.25000   0.37900   0.00900
O11   0.17200   0.25000   0.77330   0.01000
O12   0.82480   0.01580   0.40840   0.00900
O13   0.68290   0.01440   0.02230   0.00900
O14   0.05930   0.98500   0.20170   0.01000
O15   0.49060   0.02090   0.31410   0.01100