#------------------------------------------------------------------------------
#$Date: 2008-03-08 09:22:45 +0200 (Sat, 08 Mar 2008) $
#$Revision: 245 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001227.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_9001227
_chemical_name 'Hornblende'
loop_
_publ_author_name
'Phillips M W'
'Draheim J E'
'Popp R K'
'Clowe C A'
'Pinkerton A A'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 764
_journal_page_last 773
_publ_section_title
;
 Effects of oxidation-dehydrogenation in tschermakitic hornblende
 sample H-3, after annealing at 700 C
;
_chemical_formula_sum 
'Al2.42 Si6.44 Fe1.852 Mg2.218 Ti.07 Ca1.83 Na.706 O24 H1.'
_cell_length_a 9.786
_cell_length_b 18.024
_cell_length_c 5.306
_cell_angle_alpha 90
_cell_angle_beta 105.09
_cell_angle_gamma 90
_cell_volume 903.616
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-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
Al1   0.28216   0.08563   0.30101   0.39000 ?
Si1   0.28216   0.08563   0.30101   0.61000 ?
Si2   0.29167   0.17291   0.81243   1.00000 ?
Fe1   0.00000   0.08686   0.50000   0.44300 ?
Mg1   0.00000   0.08686   0.50000   0.55700 ?
Fe2   0.00000   0.17738   0.00000   0.25600 ?
Mg2   0.00000   0.17738   0.00000   0.27900 ?
Al2   0.00000   0.17738   0.00000   0.43000 ?
Ti2   0.00000   0.17738   0.00000   0.03500 ?
Fe3   0.00000   0.00000   0.00000   0.45400 ?
Mg3   0.00000   0.00000   0.00000   0.54600 ?
Ca4   0.00000   0.27950   0.50000   0.91500 ?
Na4   0.00000   0.27950   0.50000   0.07300 ?
O1   0.10730   0.08960   0.21410   1.00000 ?
O2   0.11880   0.17340   0.73330   1.00000 ?
O3   0.10930   0.00000   0.71420   1.00000 ?
O4   0.36700   0.25060   0.79320   1.00000 ?
O5   0.35010   0.13940   0.10660   1.00000 ?
O6   0.34410   0.11950   0.60190   1.00000 ?
O7   0.33710   0.00000   0.28700   1.00000 ?
Na2/m   0.00000   0.50000   0.00000   0.56000 ?
H   0.29100   0.50000   0.26300   0.67000   0.00633