#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000300.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_9000300
_chemical_name 'Epidote'
loop_
_publ_author_name
'Gabe E J'
'Portheine J C'
'Whitlow S H'
_journal_name_full "American Mineralogist"
_journal_volume 58
_journal_year 1973
_journal_page_first 218
_journal_page_last 223
_publ_section_title
;
 A reinvestigation of the epidote structure: Confirmation of the iron location
 sample LEP
;
_chemical_formula_sum 'Ca2 Si3 Al2.6 Fe.4 O13 H'
_cell_length_a 8.8802
_cell_length_b 5.6043
_cell_length_c 10.1511
_cell_angle_alpha 90
_cell_angle_beta 115.455
_cell_angle_gamma 90
_cell_volume 456.150
_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
Ca1   0.75972   0.75000   0.15373   1.00000
Ca2   0.60660   0.75000   0.42363   1.00000
Si1   0.33880   0.75000   0.04804   1.00000
Si2   0.68054   0.25000   0.27507   1.00000
Si3   0.18304   0.75000   0.31686   1.00000
Al1   0.00000   0.00000   0.00000   1.00000
Al2   0.00000   0.00000   0.50000   1.00000
Al3   0.29085   0.25000   0.22415   0.60000
Fe3   0.29095   0.25000   0.22415   0.40000
O1   0.23427   0.99603   0.04377   1.00000
O2   0.30189   0.98442   0.35306   1.00000
O3   0.79037   0.01259   0.34346   1.00000
O4   0.05360   0.25000   0.13082   1.00000
O5   0.04009   0.75000   0.14389   1.00000
O6   0.06242   0.75000   0.40295   1.00000
O7   0.51600   0.75000   0.17858   1.00000
O8   0.51639   0.25000   0.30150   1.00000
O9   0.63540   0.25000   0.10181   1.00000
O10   0.07498   0.25000   0.42501   1.00000
H   0.07900   0.25000   0.33800   1.00000