data_global
_chemical_name_mineral 'Laumontite'
loop_
_publ_author_name
'Stahl K'
'Artioli G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 5 
_journal_year 1993
_journal_page_first 851
_journal_page_last 856
_publ_section_title
;
 A neutron powder diffraction study of fully deuterated laumontite
;
_database_code_amcsd 0006493
_chemical_formula_sum 'Ca Si4 Al2 O16.5 D7.72'
_cell_length_a 14.863
_cell_length_b 13.169
_cell_length_c 7.537
_cell_angle_alpha 90
_cell_angle_beta 110.18
_cell_angle_gamma 90
_cell_volume 1384.665
_exptl_crystal_density_diffrn      2.331
_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
Ca   0.26030   0.50000   0.72880   1.00000   0.01140
Si1   0.23610   0.38160   0.14540   1.00000   0.00507
Si2   0.08050   0.37990   0.33370   1.00000   0.00507
Al   0.13420   0.30940   0.73780   1.00000   0.00507
O1   0.25580   0.50000   0.22240   1.00000   0.01140
O2   0.20610   0.37890   0.91250   1.00000   0.01140
O3   0.13690   0.37710   0.54570   1.00000   0.01140
O4   0.14700   0.34750   0.20650   1.00000   0.01140
O5   0.33070   0.31860   0.25890   1.00000   0.01140
O6   0.04480   0.50000   0.27290   1.00000   0.01140
O7   0.01230   0.30950   0.72720   1.00000   0.01140
OW1   0.02500   0.17020   0.00000   0.50000   0.03800
OW2   0.38870   0.50000   0.00690   1.00000   0.01773
OW5   0.50000   0.44190   0.50000   0.50000   0.07599
OW8   0.13600   0.10880   0.35350   1.00000   0.07472
D1   0.50660   0.29430   0.11500   0.78000   0.07599
D21   0.43690   0.44540   0.01250   0.58000   0.05066
D22   0.43590   0.45350   0.13740   0.32000   0.05066
D5   0.45290   0.47220   0.38720   0.33000   0.07599
D81   0.08530   0.07200   0.43160   0.54000   0.07599
D82   0.15620   0.15090   0.46380   0.84000   0.07599
D83   0.12280   0.16820   0.24210   0.47000   0.07599