#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001799.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_9001799
_chemical_name 'Clinozoisite'
loop_
_publ_author_name
'Comodi P'
'Zanazzi P F'
_journal_name_full "American Mineralogist"
_journal_volume 82
_journal_year 1997
_journal_page_first 61
_journal_page_last 68
_publ_section_title
;
 The pressure behavior of clinozoisite and zoisite: An X-ray
 diffraction study
 Sample: at room pressure
;
_chemical_formula_sum 'Ca2 Si3 Al2.79 Fe.21 O13 H'
_cell_length_a 8.870
_cell_length_b 5.592
_cell_length_c 10.144
_cell_angle_alpha 90
_cell_angle_beta 115.4
_cell_angle_gamma 90
_cell_volume 454.516
_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_occupancy
_atom_site_Uiso_or_equiv
Ca1   0.76060   0.75000   0.15460   1.00000 ?
Ca2   0.60680   0.75000   0.42350   1.00000 ?
Si1   0.33850   0.75000   0.04810   1.00000 ?
Si2   0.67910   0.25000   0.27520   1.00000 ?
Si3   0.18260   0.75000   0.31640   1.00000 ?
Al1   0.00000   0.00000   0.00000   1.00000 ?
Al2   0.00000   0.00000   0.50000   1.00000 ?
Al3   0.28930   0.25000   0.22390   0.79000 ?
Fe3   0.28930   0.25000   0.22390   0.21000 ?
O1   0.23440   0.99640   0.04460   1.00000 ?
O2   0.30110   0.98520   0.35220   1.00000 ?
O3   0.78930   0.01290   0.34540   1.00000 ?
O4   0.05430   0.25000   0.13160   1.00000 ?
O5   0.03960   0.75000   0.14320   1.00000 ?
O6   0.06100   0.75000   0.40150   1.00000 ?
O7   0.51670   0.75000   0.17820   1.00000 ?
O8   0.51220   0.25000   0.29760   1.00000 ?
O9   0.63840   0.25000   0.10330   1.00000 ?
O10   0.07700   0.25000   0.42460   1.00000 ?
H   0.05300   0.25000   0.35100   1.00000   0.05000