data_9001512
_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 3
 Data obtained from the ICSD
;
_chemical_formula_sum '(Si14.52 Al3.48) O38.42 Na.38 Ca.16 Ba.16 K1.08 H3.18'
_cell_length_a 17.610
_cell_length_b 17.456
_cell_length_c 7.360
_cell_angle_alpha 90
_cell_angle_beta 116.77
_cell_angle_gamma 90
_cell_volume 2019.978
_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   0.18000   0.16440   0.09540   0.80000 ?
Al1   0.18000   0.16440   0.09540   0.20000 ?
Si2   0.29440   0.08930   0.50550   0.70000 ?
Al2   0.29440   0.08930   0.50550   0.30000 ?
Si3   0.28780   0.31340   0.27520   0.83000 ?
Al3   0.28780   0.31340   0.27520   0.17000 ?
Si4   0.06580   0.29040   0.41650   0.84000 ?
Al4   0.06580   0.29040   0.41650   0.16000 ?
Si5   0.00000   0.20820   0.00000   0.92000 ?
Al5   0.00000   0.20820   0.00000   0.08000 ?
O1   0.31440   0.00000   0.55600   1.00000 ?
O2   0.24410   0.11750   0.63210   1.00000 ?
O3   0.19070   0.14310  -0.10790   1.00000 ?
O4   0.23730   0.10050   0.26310   1.00000   0.05000
O5   0.00000   0.31460   0.50000   1.00000 ?
O6   0.08140   0.15490   0.05070   1.00000 ?
O7   0.37090   0.27520   0.44810   1.00000 ?
O8   0.01400   0.26210   0.18770   1.00000 ?
O9   0.21290   0.25050   0.16930   1.00000 ?
O10   0.11600   0.36650   0.41650   1.00000 ?
Na   0.21400   0.00000   0.80000   0.19000 ?
Ca   0.45400   0.00000   0.71800   0.08000 ?
Ba   0.24400   0.50000   0.06400   0.08000 ?
K1   0.24400   0.50000   0.06400   0.46000 ?
K2   0.22000   0.00000   0.01000   0.08000   0.05000
O-H11   0.08400   0.00000   0.89700   0.21000 ?
O-H12   0.39200   0.92200   0.07000   0.37000 ?
O-H13   0.00000   0.50000   0.50000   0.40000 ?
O-H14   0.11600   0.00000   0.13000   0.06000 ?