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