#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007281.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_9007281
_chemical_name 'Laumontite'
loop_
_publ_author_name
'Lee Y'
'Hriljac J A'
'Vogt T'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 31
_journal_year 2004
_journal_page_first 421
_journal_page_last 428
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.7 GPa
;
_chemical_formula_sum 'Ca2 Al4 Si8 O33 H18'
_cell_length_a 14.7934
_cell_length_b 13.0979
_cell_length_c 7.4420
_cell_angle_alpha 90
_cell_angle_beta 110.166
_cell_angle_gamma 90
_cell_volume 1353.584
_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_Uiso_or_equiv
Ca   0.26900   0.50000   0.72200   0.05300
Al   0.13090   0.31120   0.73120   0.05300
Si1   0.24050   0.38230   0.16100   0.05300
Si2   0.07680   0.38590   0.31910   0.05300
O1   0.26500   0.50000   0.22400   0.05300
O2   0.21300   0.37100   0.93200   0.05300
O3   0.13800   0.39000   0.54700   0.05300
O4   0.14900   0.34400   0.21300   0.05300
O5   0.33300   0.31500   0.28300   0.05300
O6   0.03900   0.50000   0.24600   0.05300
O7   0.01400   0.30800   0.73500   0.05300
Wat1   0.00000   0.15400   0.00000   0.05300
Wat2   0.42000   0.50000   0.03900   0.05300
Wat5   0.50000   0.50000   0.50000   0.05300
Wat8   0.13400   0.12600   0.37800   0.05300