#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007282.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_9007282
loop_
_publ_author_name
'Lee Y'
'Hriljac J A'
'Vogt T'
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 2.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al2 Ca H12 O16.5 Si4'
_chemical_name_mineral           Laumontite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.512
_cell_angle_gamma                90
_cell_length_a                   14.7204
_cell_length_b                   13.1084
_cell_length_c                   7.4080
_cell_volume                     1338.825
_diffrn_ambient_pressure         2.4e+06
_[local]_cod_chemical_formula_sum_orig 'Ca Al2 Si4 O16.5 H12'
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_U_iso_or_equiv
Ca 0.27700 0.50000 0.70900 1.00000 0.01300
Al 0.13080 0.31110 0.73480 1.00000 0.01300
Si1 0.24440 0.38150 0.16640 1.00000 0.01300
Si2 0.08150 0.38660 0.32000 1.00000 0.01300
O1 0.26300 0.50000 0.23000 1.00000 0.01300
O2 0.21500 0.37000 0.93500 1.00000 0.01300
O3 0.13900 0.39000 0.55100 1.00000 0.01300
O4 0.15400 0.33900 0.21900 1.00000 0.01300
O5 0.34000 0.31600 0.28700 1.00000 0.01300
O6 0.04800 0.50000 0.23600 1.00000 0.01300
O7 0.01300 0.31300 0.74000 1.00000 0.01300
Wat1 0.00200 0.17500 0.06500 0.50000 0.01300
Wat2 0.43800 0.50000 0.15300 1.00000 0.01300
Wat5 0.50000 0.57600 0.50000 0.50000 0.01300
Wat8 0.12200 0.12600 0.36900 1.00000 0.01300
_cod_database_code 9007282