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