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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001091.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_9001091
_chemical_name 'Lizardite'
loop_
_publ_author_name
'Mellini M'
'Zanazzi P F'
_journal_name_full "American Mineralogist"
_journal_volume 72
_journal_year 1987
_journal_page_first 943
_journal_page_last 948
_publ_section_title
;
 Crystal structures of lizardite-1T and lizardite-2H1 from Coli, Italy
 Sample: Lizardite-2H1
 Note: U(1,2) for Si/O2/O3 altered to match symmetry constraints
;
_chemical_formula_sum 'Si2 Mg3 O9 H4'
_cell_length_a 5.318
_cell_length_b 5.318
_cell_length_c 14.541
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 356.141
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Si   0.33333   0.66667   0.03600 ?
Mg   0.33240   0.00000   0.22660 ?
O1   0.33333   0.66667   0.14620 ?
O2   0.48380   0.00000  -0.00470 ?
O3   0.66570   0.00000   0.29340 ?
O4   0.00000   0.00000   0.15020 ?
H3   0.62000   0.00000   0.36500   0.04800
H4   0.00000   0.00000   0.08100   0.03000