data_global _chemical_name_mineral 'Sonolite' loop_ _publ_author_name 'Kato T' 'Ito Y' 'Hashimoto N' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1989 _journal_year 1989 _journal_page_first 410 _journal_page_last 430 _publ_section_title ; The crystal structures of sonolite and jerrygibbsite ; _database_code_amcsd 0014839 _chemical_compound_source 'Hokkejino mine, Kyoto Prefecture, Honshu, Japan' _chemical_formula_sum '(Mn7.634 Mg.88 Ca.434 Fe.052) Si4 O18 H2' _cell_length_a 4.872 _cell_length_b 10.669 _cell_length_c 14.287 _cell_angle_alpha 100.30 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 730.662 _exptl_crystal_density_diffrn 3.925 _symmetry_space_group_name_H-M 'P 21/b 1 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_occupancy _atom_site_U_iso_or_equiv MnM1C 0.50000 0.00000 0.50000 0.86400 0.01317 MgM1C 0.50000 0.00000 0.50000 0.08000 0.01317 CaM1C 0.50000 0.00000 0.50000 0.05000 0.01317 FeM1C 0.50000 0.00000 0.50000 0.00600 0.01317 MnM1N 0.49530 0.94730 0.27330 0.88400 0.01089 MgM1N 0.49530 0.94730 0.27330 0.06000 0.01089 CaM1N 0.49530 0.94730 0.27330 0.05000 0.01089 FeM1N 0.49530 0.94730 0.27330 0.00600 0.01089 MnM25 0.00910 0.13930 0.17170 0.88400 0.01013 MgM25 0.00910 0.13930 0.17170 0.06000 0.01013 CaM25 0.00910 0.13930 0.17170 0.05000 0.01013 FeM25 0.00910 0.13930 0.17170 0.00600 0.01013 MnM26 0.51280 0.25370 0.38800 0.87400 0.00912 MgM26 0.51280 0.25370 0.38800 0.07000 0.00912 CaM26 0.51280 0.25370 0.38800 0.05000 0.00912 FeM26 0.51280 0.25370 0.38800 0.00600 0.00912 MnM3 0.48600 0.87380 0.04160 0.74300 0.01482 MgM3 0.48600 0.87380 0.04160 0.21000 0.01482 CaM3 0.48600 0.87380 0.04160 0.04200 0.01482 FeM3 0.48600 0.87380 0.04160 0.00500 0.01482 Sil 0.07400 0.06730 0.38970 1.00000 0.00621 Si2 0.07750 0.17510 0.83590 1.00000 0.00583 O11 0.74170 0.06350 0.38800 1.00000 0.00937 O12 0.28370 0.42640 0.38750 1.00000 0.00633 O13 0.21200 0.11410 0.29730 1.00000 0.00798 O14 0.21380 0.15630 0.48240 1.00000 0.00887 O21 0.24680 0.32390 0.16230 1.00000 0.01026 O22 0.78140 0.96390 0.16220 1.00000 0.01127 O23 0.71510 0.28180 0.25800 1.00000 0.00899 O24 0.72060 0.23190 0.07320 1.00000 0.00874 O-H 0.25760 0.04400 0.05320 1.00000 0.01520 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 MnM1C 0.01089 0.01742 0.01151 0.00070 -0.00191 0.00120 MgM1C 0.01089 0.01742 0.01151 0.00070 -0.00191 0.00120 CaM1C 0.01089 0.01742 0.01151 0.00070 -0.00191 0.00120 FeM1C 0.01089 0.01742 0.01151 0.00070 -0.00191 0.00120 MnM1N 0.00899 0.01373 0.01001 0.00093 -0.00121 -0.00486 MgM1N 0.00899 0.01373 0.01001 0.00093 -0.00121 -0.00486 CaM1N 0.00899 0.01373 0.01001 0.00093 -0.00121 -0.00486 FeM1N 0.00899 0.01373 0.01001 0.00093 -0.00121 -0.00486 MnM25 0.01146 0.00904 0.00941 0.00091 0.00059 -0.00135 MgM25 0.01146 0.00904 0.00941 0.00091 0.00059 -0.00135 CaM25 0.01146 0.00904 0.00941 0.00091 0.00059 -0.00135 FeM25 0.01146 0.00904 0.00941 0.00091 0.00059 -0.00135 MnM26 0.00914 0.00821 0.00931 -0.00031 -0.00038 -0.00172 MgM26 0.00914 0.00821 0.00931 -0.00031 -0.00038 -0.00172 CaM26 0.00914 0.00821 0.00931 -0.00031 -0.00038 -0.00172 FeM26 0.00914 0.00821 0.00931 -0.00031 -0.00038 -0.00172 MnM3 0.01399 0.01636 0.01321 0.00052 -0.00031 -0.00067 MgM3 0.01399 0.01636 0.01321 0.00052 -0.00031 -0.00067 CaM3 0.01399 0.01636 0.01321 0.00052 -0.00031 -0.00067 FeM3 0.01399 0.01636 0.01321 0.00052 -0.00031 -0.00067 Sil 0.00432 0.00893 0.00541 0.00039 0.00049 -0.00187 Si2 0.00352 0.00648 0.00761 0.00041 -0.00045 -0.00254 O11 0.00803 0.01183 0.00831 -0.00150 -0.00049 -0.00419 O12 0.00791 0.00553 0.00691 0.00130 0.00035 -0.00463 O13 0.00427 0.01195 0.00881 0.00148 0.00173 -0.00164 O14 0.00699 0.01262 0.00701 0.00127 -0.00146 -0.00351 O21 0.00524 0.01557 0.01081 -0.00021 0.00149 0.00000 O22 0.01047 0.00994 0.01281 -0.00010 0.00042 -0.00022 O23 0.00856 0.00988 0.00841 0.00199 -0.00146 -0.00187 O24 0.00891 0.00720 0.01181 0.00142 -0.00125 -0.00658 O-H 0.01532 0.01485 0.02032 0.00503 0.01183 0.00157