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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009588.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_9009588
_chemical_name 'Sarcolite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_journal_name_full "Tschermaks Mineralogische und Petrographische Mitteilungen"
_journal_volume 24
_journal_year 1977
_journal_page_first 1
_journal_page_last 21
_publ_section_title
;
 The crystal structure of sarcolite
 Locality: Vesuvius volcano, Bay of Naples, Italy
;
_chemical_formula_sum 'Na3.52 Ca12 Al8 Si12.5 O55.64 P.5 C.92 Cl.08'
_cell_length_a 12.343
_cell_length_b 12.343
_cell_length_c 15.463
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2355.783
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
Na1   0.00000   0.00000   0.28210   1.00000   0.01646
Na2   0.00000   0.50000   0.25000   0.76000   0.10689
Ca1   0.26960   0.40080   0.00000   1.00000   0.01343
Ca2   0.07630   0.20840   0.13490   1.00000   0.01216
Al   0.37550   0.18790   0.14230   1.00000   0.01418
Si1   0.37100   0.01020   0.00000   1.00000   0.00735
Si2   0.24460   0.39010   0.20170   1.00000   0.00709
O1   0.00000   0.50000   0.00000   1.00000   0.05167
O2   0.10400   0.30810   0.00000   1.00000   0.02267
O3   0.33530   0.07150   0.08730   1.00000   0.01444
O4   0.22220   0.48850   0.13410   1.00000   0.01634
O5   0.27820   0.29130   0.13610   1.00000   0.01494
O6   0.16510   0.08000   0.22700   1.00000   0.01216
O7   0.13030   0.35090   0.24440   1.00000   0.01469
O8   0.39460   0.25080   0.00000   0.72000   0.03521
O9   0.03800   0.11800   0.00000   0.12500   0.01900
O10   0.10000  -0.07400   0.00000   0.12500   0.01900
O11  -0.06900  -0.02200   0.08000   0.12500   0.01900
O12   0.09300   0.04500   0.05800   0.25000   0.01900
O13   0.50000   0.55500   0.07100   0.11500   0.01900
O14   0.53900   0.53900   0.07100   0.11500   0.01900
O15   0.46200   0.40500   0.00000   0.23000   0.01900
Si3   0.00000   0.00000   0.00000   0.50000   0.00709
P3   0.00000   0.00000   0.00000   0.50000   0.00709
C   0.51300   0.49500   0.00000   0.23000   0.01900
Cl   0.50000   0.50000   0.00000   0.08000   0.01900