data_global _chemical_name_mineral 'Eakerite' loop_ _publ_author_name 'Kossiakoff A A' 'Leavens P B' _journal_name_full 'American Mineralogist' _journal_volume 61 _journal_year 1976 _journal_page_first 956 _journal_page_last 962 _publ_section_title ; The crystal structure of eakerite, a calcium-tin silicate Note: z-coordinate of Si2 altered ; _database_code_amcsd 0000529 _chemical_formula_sum 'Sn Ca2 Al2 Si6 O22 H6' _cell_length_a 15.892 _cell_length_b 7.721 _cell_length_c 7.438 _cell_angle_alpha 90 _cell_angle_beta 101.34 _cell_angle_gamma 90 _cell_volume 894.841 _exptl_crystal_density_diffrn 2.893 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sn 0.00000 0.00000 0.00000 Ca 0.30050 0.31110 0.00210 Al 0.27080 0.02200 -0.31720 Si1 0.45540 0.16970 0.71320 Si2 0.16610 0.14450 0.30910 Si3 0.49320 0.21810 0.33490 O1 0.01970 0.19930 -0.16140 O2 0.50510 -0.01640 -0.26940 O3 0.21430 0.30830 0.23720 O4 0.12250 0.02340 0.14110 O5 0.36250 0.14480 -0.23160 O6 0.44700 0.33400 0.16450 O7 0.23620 0.03490 0.44880 Wat8 0.31930 0.00300 0.15310 O-H9 0.20170 0.10310 -0.18110 O10 0.43970 0.22810 0.49770 O11 0.09220 0.22160 0.41240 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sn 0.00780 0.00820 0.00890 0.00040 0.00120 0.00270 Ca 0.00920 0.01090 0.01000 -0.00050 0.00230 -0.00050 Al 0.00550 0.00590 0.00650 0.00010 0.00140 0.00020 Si1 0.00430 0.00600 0.00620 -0.00010 0.00180 -0.00070 Si2 0.00540 0.00630 0.00550 0.00040 0.00060 0.00010 Si3 0.00370 0.00710 0.00510 0.00020 0.00110 0.00070 O1 0.00960 0.01400 0.01340 0.00210 0.00260 0.00350 O2 0.01530 0.00390 0.02370 0.00250 0.00350 -0.00070 O3 0.01110 0.01350 0.01010 -0.00110 0.00320 -0.00320 O4 0.01560 0.00960 0.00990 0.00140 0.00240 -0.00270 O5 0.00820 0.01430 0.01090 -0.00150 0.00280 -0.00240 O6 0.00860 0.01040 0.01290 0.00020 -0.00140 0.00050 O7 0.00920 0.01310 0.01330 0.00150 0.00140 0.00010 Wat8 0.01540 0.01790 0.01660 0.00100 -0.00110 -0.00120 O-H9 0.00970 0.01540 0.01220 0.00260 0.00210 0.00110 O10 0.01020 0.01910 0.00910 0.00010 0.00280 0.00010 O11 0.01100 0.01530 0.01240 0.00360 0.00290 -0.00080