#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9001511.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_9001511
_chemical_name 'Clinoptilolite'
loop_
_publ_author_name
'Armbruster T'
_journal_name_full "American Mineralogist"
_journal_volume 78
_journal_year 1993
_journal_page_first 260
_journal_page_last 264
_publ_section_title
;
 Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray
 study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K
 Sample Dehyd 2
 Data obtained from the ICSD
;
_chemical_formula_sum '(Si14.52 Al3.48) O38.58 Na.42 Ca.22 Ba.16 K1.06 H3.18'
_cell_length_a 17.619
_cell_length_b 17.503
_cell_length_c 7.371
_cell_angle_alpha 90
_cell_angle_beta 116.71
_cell_angle_gamma 90
_cell_volume 2030.552
_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   0.17990   0.16500   0.09550   0.80000 ?
Al1   0.17990   0.16500   0.09550   0.20000 ?
Si2   0.29380   0.08940   0.50500   0.70000 ?
Al2   0.29380   0.08940   0.50500   0.30000 ?
Si3   0.28820   0.31310   0.27590   0.83000 ?
Al3   0.28820   0.31310   0.27590   0.17000 ?
Si4   0.06570   0.29110   0.41580   0.84000 ?
Al4   0.06570   0.29110   0.41580   0.16000 ?
Si5   0.00000   0.20860   0.00000   0.92000 ?
Al5   0.00000   0.20860   0.00000   0.08000 ?
O1   0.31420   0.00000   0.55500   1.00000 ?
O2   0.24310   0.11770   0.63080   1.00000 ?
O3   0.19030   0.14430  -0.10840   1.00000 ?
O4   0.23710   0.10110   0.26180   1.00000   0.05000
O5   0.00000   0.31580   0.50000   1.00000 ?
O6   0.08150   0.15530   0.05160   1.00000 ?
O7   0.37110   0.27450   0.44830   1.00000 ?
O8   0.01360   0.26250   0.18830   1.00000 ?
O9   0.21270   0.25100   0.17010   1.00000 ?
O10   0.11580   0.36710   0.41440   1.00000 ?
Na   0.20800   0.00000   0.78800   0.21000 ?
Ca   0.45600   0.00000   0.72800   0.11000 ?
Ba   0.24420   0.50000   0.06350   0.08000 ?
K1   0.24420   0.50000   0.06350   0.43000 ?
K2   0.22000   0.00000   0.01000   0.10000   0.05000
O-H11   0.08600   0.00000   0.88600   0.27000 ?
O-H12   0.39600   0.92000   0.07500   0.39000 ?
O-H13   0.00000   0.50000   0.50000   0.40000 ?
O-H14   0.10600   0.00000   0.11000   0.04000 ?