data_global _chemical_name_mineral 'Brewsterite-Sr' loop_ _publ_author_name 'Alberti A' 'Sacerdoti M' 'Quartieri S' 'Vezzalini G' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 26 _journal_year 1999 _journal_page_first 181 _journal_page_last 186 _publ_section_title ; Heating-induced phase transformation in zeolite brewsterite: new 4- and 5-coordinated (Si,Al) sites Sample: BR280R ; _database_code_amcsd 0008168 _chemical_formula_sum 'Sr.517 Si2.99 Al1.01 O8.79 H1.58' _cell_length_a 6.676 _cell_length_b 16.547 _cell_length_c 7.543 _cell_angle_alpha 90 _cell_angle_beta 94.41 _cell_angle_gamma 90 _cell_volume 830.792 _exptl_crystal_density_diffrn 2.389 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-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 Sr1 0.57000 0.25000 0.06600 0.33800 0.12700 Sr2 0.06700 0.25000 0.56800 0.23600 0.09800 Sr3 0.83300 0.13200 0.08300 0.11800 0.27000 Sr4 0.05500 0.25000 0.39800 0.16000 0.29000 Sr5 0.71600 0.25000 -0.05400 0.06400 0.10000 SiT1 0.31800 0.08560 0.82900 0.69000 0.05500 AlT11 0.23100 0.16000 0.84700 0.31000 0.05500 SiT2 0.40700 0.06500 0.19500 0.80000 0.07400 AlT21 0.22700 0.37500 0.20700 0.20000 0.07400 SiT3 0.56700 0.16020 0.54000 0.75000 0.07400 AlT3 0.56700 0.16020 0.54000 0.25000 0.07400 SiT4 0.91200 0.04270 0.65200 0.75000 0.06600 AlT4 0.91200 0.04270 0.65200 0.25000 0.06600 O1 0.34700 0.11800 0.01400 1.00000 0.12000 O2 0.47300 0.13900 0.34100 1.00000 0.15000 O3 0.76900 0.11500 0.59100 1.00000 0.17000 O4 0.41400 0.14500 0.69700 1.00000 0.13000 O5 0.07800 0.08500 0.77300 1.00000 0.15000 O6 0.19900 0.01900 0.23600 1.00000 0.13000 O7 0.39600 0.99600 0.81100 0.80000 0.09000 Wat71 0.10300 0.25000 0.78500 0.91000 0.17000 Wat72 0.23100 0.25000 0.18600 0.67000 0.06000 O73 -0.03200 0.15400 0.21900 0.20000 0.16000 O8 0.00000 0.00000 0.50000 1.00000 0.09000 O9 0.63300 0.25000 0.52500 1.00000 0.11000