data_9002891
_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 = P = 37.6 mbar PH2O
;
_chemical_formula_sum 'Si4 Al2 O16.323 Ca H12'
_cell_length_a 14.8786
_cell_length_b 13.1708
_cell_length_c 7.5373
_cell_angle_alpha 90
_cell_angle_beta 110.196
_cell_angle_gamma 90
_cell_volume 1386.220
_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   0.23594   0.38305   0.15070   1.00000   0.01077
Si2   0.07851   0.38374   0.32540   1.00000   0.00757
Al   0.12877   0.30795   0.73620   1.00000   0.01049
O1   0.25860   0.50000   0.22020   1.00000   0.01070
O2   0.20940   0.37900   0.92420   1.00000   0.01060
O3   0.13910   0.37800   0.54720   1.00000   0.00850
O4   0.14540   0.34500   0.20790   1.00000   0.00300
O5   0.32920   0.31594   0.26160   1.00000   0.00550
O6   0.04500   0.50000   0.26910   1.00000   0.00550
O7   0.01190   0.30760   0.73240   1.00000   0.00930
Ca   0.26006   0.50000   0.73530   1.00000   0.01440
Wat1   0.01380   0.17170   0.02100   0.42800   0.02440
Wat2   0.39720   0.50000   0.02260   1.00000   0.02440
Wat5   0.50000   0.52420   0.50000   0.46700   0.06000
Wat8   0.14140   0.11940   0.35740   1.00000   0.06000