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 = P = 37.6 mbar PH2O ; _database_code_amcsd 0002980 _chemical_formula_sum 'Si4 Al2 O16.323 Ca H8.646' _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 _exptl_crystal_density_diffrn 2.282 _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 0.23594 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