data_global _chemical_name_mineral 'Eakerite' loop_ _publ_author_name 'Uchida H' 'Downs R T' 'Thompson R M' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 63 _journal_year 2007 _journal_page_first i47 _journal_page_last i49 _publ_section_title ; Reinvestigation of eakerite, Ca2SnAl2Si6O18(OH)2*2H2O: H-atom positions by single-crystal X-ray diffraction and correlation with Raman spectroscopic data ; _database_code_amcsd 0010472 _chemical_compound_source 'Foote Mineral Company mine, Kings Mountain, North Carolina, USA' _chemical_formula_sum 'Sn Ca2 Al2 Si6 O22 H6' _cell_length_a 15.8202 _cell_length_b 7.6963 _cell_length_c 7.4449 _cell_angle_alpha 90 _cell_angle_beta 101.293 _cell_angle_gamma 90 _cell_volume 888.918 _exptl_crystal_density_diffrn 2.912 _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 _atom_site_U_iso_or_equiv Sn 0.00000 0.00000 0.00000 0.00651 Ca 0.30037 0.31104 0.00225 0.00876 Al 0.27068 0.02215 0.68283 0.00660 Si1 0.45531 0.16988 0.71316 0.00629 Si2 0.16629 0.14507 0.30892 0.00636 Si3 0.49337 0.21803 0.33559 0.00616 O1 0.01960 0.19958 -0.16104 0.01086 O2 0.50547 -0.01656 0.72868 0.01290 O3 0.21455 0.30912 0.23632 0.00992 O4 0.12298 0.02274 0.14054 0.00820 O5 0.36271 0.14553 -0.23084 0.00947 O6 0.44680 0.33291 0.16450 0.00886 O7 0.23642 0.03515 0.44934 0.01008 O8 0.31937 0.00282 0.15180 0.01460 O9 0.20206 0.10401 -0.18049 0.01123 O10 0.43954 0.22846 0.49792 0.01200 O11 0.09213 0.22090 0.41285 0.01080 H81 0.31600 0.00200 0.23900 0.06700 H82 0.36300 -0.02500 0.14000 0.02900 H9 0.15000 0.11600 -0.20400 0.04600 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 0.00652 0.00640 0.00631 -0.00026 0.00054 0.00031 Ca 0.00858 0.00888 0.00905 -0.00034 0.00227 -0.00044 Al 0.00669 0.00700 0.00594 0.00023 0.00081 0.00031 Si1 0.00629 0.00606 0.00660 -0.00021 0.00144 -0.00056 Si2 0.00589 0.00666 0.00618 0.00003 0.00030 0.00033 Si3 0.00625 0.00615 0.00606 0.00018 0.00114 0.00105 O1 0.00920 0.01080 0.01280 -0.00210 0.00260 -0.00540 O2 0.01210 0.00680 0.01900 0.00180 0.00090 -0.00150 O3 0.01260 0.00720 0.01040 0.00210 0.00350 0.00100 O4 0.00730 0.00890 0.00770 -0.00040 -0.00050 0.00250 O5 0.00780 0.01110 0.01010 -0.00280 0.00300 -0.00160 O6 0.00850 0.00980 0.00770 -0.00010 0.00020 0.00350 O7 0.00980 0.01200 0.00760 -0.00230 -0.00050 -0.00090 O8 0.00950 0.01800 0.01570 -0.00090 0.00120 0.00010 O9 0.00750 0.01460 0.01170 0.00130 0.00200 -0.00140 O10 0.01050 0.01860 0.00760 0.00100 0.00350 0.00190 O11 0.00780 0.01470 0.00970 -0.00240 0.00110 0.00240