data_global
_chemical_name_mineral '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 = 0.11 mbar PH2O
;
_database_code_amcsd 0002978
_chemical_formula_sum 'Si4 Al2 O15.126 Ca H6.252'
_cell_length_a 14.70542
_cell_length_b 13.07118
_cell_length_c 7.45156
_cell_angle_alpha 90
_cell_angle_beta 112.121
_cell_angle_gamma 90
_cell_volume 1326.886
_exptl_crystal_density_diffrn      2.276
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_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
Si1   0.23740   0.38250   0.15688   1.00000   0.00108
Si2   0.07813   0.38454   0.31593   1.00000   0.00125
Al   0.13040   0.30946   0.72981   1.00000   0.00040
O1   0.25780   0.50000   0.23460   1.00000   0.00380
O2   0.21509   0.37643   0.92770   1.00000   0.00380
O3   0.14697   0.38502   0.54610   1.00000   0.00380
O4   0.14338   0.34208   0.19820   1.00000   0.00380
O5   0.33276   0.31728   0.27940   1.00000   0.00380
O6   0.04374   0.50000   0.24970   1.00000   0.00380
O7   0.01177   0.30891   0.72350   1.00000   0.00380
Ca   0.27328   0.50000   0.75034   1.00000   0.00690
Wat1   0.02500   0.17000   0.00000   0.03000   0.01920
Wat2   0.41694   0.47696   0.05890   0.50000   0.01920
Wat5   0.50000   0.43780   0.50000   0.06600   0.03170
Wat8   0.11752   0.12007   0.32050   1.00000   0.03170