#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001241.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_9001241
_chemical_name 'Pargasite'
loop_
_publ_author_name
'Makino K'
'Tomita K'
_journal_name_full "American Mineralogist"
_journal_volume 74
_journal_year 1989
_journal_page_first 1097
_journal_page_last 1105
_publ_section_title
;
 Cation distribution in the octahedral sites of hornblendes
 sample E-P from Einstodingen, Antarctica
;
_chemical_formula_sum '(Si5.96 Al2.04) (Mg4.1 Fe.9) Ca1.99 Na1.89 O24 H2'
_cell_length_a 9.900
_cell_length_b 17.95
_cell_length_c 5.311
_cell_angle_alpha 90
_cell_angle_beta 105.42
_cell_angle_gamma 90
_cell_volume 909.817
_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
Si1   0.27760   0.08630   0.30490   0.50000   0.00557
Al1   0.27760   0.08630   0.30490   0.50000   0.00557
Si2   0.29610   0.17410   0.81620   0.99000   0.00595
Al2   0.29610   0.17410   0.81620   0.01000   0.00595
Mg1   0.00000   0.09030   0.50000   0.82200   0.01165
Fe1   0.00000   0.09030   0.50000   0.17800   0.01165
Mg2   0.00000   0.17680   0.00000   0.83800   0.00798
Fe2   0.00000   0.17680   0.00000   0.16200   0.00798
Mg3   0.00000   0.00000   0.00000   0.78000   0.01102
Fe3   0.00000   0.00000   0.00000   0.22000   0.01102
Ca4   0.00000   0.28090   0.50000   0.99500   0.00849
Na4   0.00000   0.28090   0.50000   0.00500   0.00849
NaAm   0.02030   0.50000   0.04260   0.94000   0.02191
O1   0.10450   0.09020   0.21480   1.00000   0.01051
O2   0.12040   0.17500   0.73750   1.00000   0.01039
O-H3   0.11230   0.00000   0.71510   1.00000   0.00963
O4   0.36870   0.25060   0.79340   1.00000   0.01102
O5   0.34910   0.13980   0.11290   1.00000   0.01089
O6   0.34180   0.11860   0.61080   1.00000   0.01165
O7   0.33440   0.00000   0.28800   1.00000   0.01520