#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9002890.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_9002890
_chemical_name 'Laumontite'
loop_
_publ_author_name
'Fridriksson T'
'Bish D L'
'Bird D K'
_journal_name_full "American Mineralogist"
_journal_volume 88
_journal_year 2003
_journal_page_first 277
_journal_page_last 287
_publ_section_title
;
 Hydrogen-bonded water in laumontite I: X-ray powder diffraction
 study of water site occupancy and structural changes in laumontite
 during room-temperature isothermal hydration/dehydration
 Sample: P = 16.4 mbar PH2O
;
_chemical_formula_sum 'Si4 Al2 O15.522 Ca H14'
_cell_length_a 14.74716
_cell_length_b 13.06601
_cell_length_c 7.55735
_cell_angle_alpha 90
_cell_angle_beta 112.0399
_cell_angle_gamma 90
_cell_volume 1349.785
_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   0.23817   0.38214   0.15752   1.00000   0.00470
Si2   0.08328   0.38332   0.32681   1.00000   0.00380
Al   0.12850   0.31001   0.73388   1.00000   0.00460
O1   0.26062   0.50000   0.22720   1.00000   0.00770
O2   0.20980   0.37876   0.92910   1.00000   0.00770
O3   0.14738   0.38453   0.55440   1.00000   0.00770
O4   0.14923   0.34054   0.21330   1.00000   0.00770
O5   0.33694   0.31729   0.27000   1.00000   0.00770
O6   0.05190   0.50000   0.26210   1.00000   0.00770
O7   0.00863   0.30915   0.72010   1.00000   0.00770
Ca   0.27194   0.50000   0.75867   1.00000   0.01260
Wat1   0.02500   0.17000   0.00000   0.01100   0.04690
Wat2   0.41577   0.46147   0.05730   0.50000   0.04690
Wat5   0.50000   0.43509   0.50000   0.50000   0.05570
Wat8   0.11622   0.11218   0.30000   1.00000 ?