data_global _chemical_name_mineral 'Epistilbite' loop_ _publ_author_name 'Cruciani G' 'Martucci A' 'Meneghini C' _journal_name_full 'European Journal of Mineralogy' _journal_volume 15 _journal_year 2003 _journal_page_first 257 _journal_page_last 266 _publ_section_title ; Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction T = 528 K ; _database_code_amcsd 0006969 _chemical_formula_sum 'Ca.35 (Al.726 Si2.274) O7.205 H2.41' _cell_length_a 9.0935 _cell_length_b 17.6912 _cell_length_c 10.2094 _cell_angle_alpha 90 _cell_angle_beta 124.569 _cell_angle_gamma 90 _cell_volume 1352.454 _exptl_crystal_density_diffrn 2.114 _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 Ca1 0.74600 0.00000 0.23780 0.41000 0.07700 Ca2 0.72500 0.00000 0.49680 0.29000 0.15500 AlT1 0.01020 0.08590 0.16830 0.24200 0.03500 SiT1 0.01020 0.08590 0.16830 0.75800 0.03500 AlT2 0.29260 0.20870 0.38500 0.24200 0.03500 SiT2 0.29260 0.20870 0.38500 0.75800 0.03500 AlT3 0.71640 0.19560 0.10360 0.24200 0.03500 SiT3 0.71640 0.19560 0.10360 0.75800 0.03500 O1 0.03990 0.00000 0.23310 1.00000 0.06800 O2 0.00000 0.07610 0.00000 1.00000 0.06800 O3 0.81520 0.11570 0.12820 1.00000 0.06800 O4 0.17170 0.13440 0.30800 1.00000 0.06800 O5 0.50000 0.17880 0.00000 1.00000 0.06800 O6 0.50000 0.17380 0.50000 1.00000 0.06800 O7 0.75000 0.25000 0.00000 1.00000 0.06800 O8 0.76540 0.21840 0.27930 1.00000 0.06800 O9 0.25000 0.25000 0.50000 1.00000 0.06800 Wat1 0.50000 0.00000 0.50000 0.83000 0.18600 Wat2 0.00000 0.10160 0.50000 0.66000 0.14000 Wat3 0.57700 0.08460 0.32050 0.49000 0.18800 Wat4 0.50000 0.00000 0.00000 0.71000 0.13000