data_global _chemical_name_mineral 'Inesite' loop_ _publ_author_name 'Wan C' 'Ghose S' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 563 _journal_page_last 571 _publ_section_title ; Inesite, a hydrated calcium manganese silicate with five-tetrahedral-repeat double chains ; _database_code_amcsd 0000669 _chemical_formula_sum 'Ca2 Mn7 Si10 O34.956 H11.912' _cell_length_a 8.889 _cell_length_b 9.247 _cell_length_c 11.975 _cell_angle_alpha 88.15 _cell_angle_beta 132.07 _cell_angle_gamma 96.64 _cell_volume 724.409 _exptl_crystal_density_diffrn 3.019 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Ca 0.38823 0.26154 0.10164 1.00000 ? Mn1 0.00000 0.00000 0.00000 1.00000 ? Mn2 0.09978 0.07665 0.77404 1.00000 ? Mn3 0.20633 0.11273 0.55863 1.00000 ? Mn4 0.30756 0.15973 0.33874 1.00000 ? Si1 0.13271 0.72738 0.77309 1.00000 ? Si2 0.21219 0.75524 0.55699 1.00000 ? Si3 0.01735 0.60119 0.26428 1.00000 ? Si4 0.31748 0.81419 0.28134 1.00000 ? Si5 0.40405 0.88778 0.08109 1.00000 ? O1 0.65300 0.21680 0.05600 1.00000 ? O2 0.95680 0.42830 0.21190 1.00000 ? O3 0.02650 0.15580 0.30870 1.00000 ? O4 0.79200 0.30690 0.31400 1.00000 ? O5 0.92670 0.11400 0.52950 1.00000 ? O6 0.89880 0.38650 0.56530 1.00000 ? O7 0.55150 0.20710 0.35090 1.00000 ? O8 0.16360 0.30380 0.84710 1.00000 ? O9 0.78260 0.34520 0.71480 1.00000 ? O10 0.82800 0.06300 0.76390 1.00000 ? O11 0.68400 0.21440 0.85420 1.00000 ? O12 0.45120 0.14490 0.56440 1.00000 ? O13 0.27280 0.02360 0.00800 1.00000 ? O14 0.35350 0.07360 0.78800 1.00000 ? O-h 0.13320 0.21610 0.10740 1.00000 ? OW1 0.26400 0.36000 0.59570 1.00000 ? OW2 0.54980 0.49050 0.87990 1.00000 ? OW3 0.40240 0.41590 0.43990 0.47800 ? H1 0.02500 0.28100 0.06400 1.00000 0.05066 H2 0.12700 0.37300 0.52800 1.00000 0.05066 H3 0.31500 0.37900 0.54400 1.00000 0.05066 H4 0.64000 0.43300 0.95000 1.00000 0.05066 H5 0.48300 0.43300 0.78800 1.00000 0.05066 H6 0.55300 0.41300 0.52700 0.47800 0.05066 H7 0.34800 0.46600 0.36300 0.47800 0.05066 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 Ca 0.02050 0.01200 0.00750 0.00420 0.00730 0.00070 Mn1 0.01110 0.01390 0.00840 0.00130 0.00660 0.00070 Mn2 0.00930 0.00960 0.00830 0.00160 0.00660 0.00060 Mn3 0.00860 0.01240 0.00860 0.00080 0.00650 0.00010 Mn4 0.00870 0.02180 0.00850 0.00000 0.00660 0.00030 Si1 0.00760 0.00770 0.00650 0.00090 0.00560 0.00040 Si2 0.00830 0.00900 0.00810 0.00120 0.00660 0.00050 Si3 0.01090 0.00800 0.00870 0.00040 0.00790 0.00040 Si4 0.00690 0.01030 0.00710 0.00110 0.00520 0.00120 Si5 0.00690 0.00970 0.00600 0.00130 0.00490 0.00050 O1 0.00920 0.01240 0.00780 0.00180 0.00550 -0.00060 O2 0.02040 0.00740 0.01670 -0.00140 0.01560 -0.00090 O3 0.00840 0.01070 0.01060 0.00280 0.00690 0.00180 O4 0.01540 0.01530 0.00990 0.00520 0.01060 0.00320 O5 0.01020 0.01100 0.01030 0.00200 0.00760 0.00170 O6 0.02210 0.01130 0.01140 0.00080 0.01280 -0.00030 O7 0.01120 0.02290 0.01890 0.00170 0.01110 0.00350 O8 0.01160 0.01270 0.01440 0.00360 0.00790 0.00060 O9 0.01350 0.01080 0.01920 0.00070 0.01330 0.00290 O10 0.00980 0.01260 0.01210 0.00270 0.00800 0.00110 O11 0.01290 0.01470 0.01170 -0.00050 0.01030 0.00080 O12 0.00750 0.02280 0.00890 0.00030 0.00580 0.00010 O13 0.01230 0.01270 0.01050 0.00430 0.00810 0.00190 O14 0.00710 0.01670 0.00920 0.00150 0.00580 0.00070 O-h 0.01330 0.01670 0.01370 0.00430 0.00980 0.00210 OW1 0.02220 0.01740 0.02870 0.00310 0.01000 -0.00080 OW2 0.14070 0.03570 0.02200 0.04390 -0.00720 -0.00540 OW3 0.02340 0.02320 0.03150 0.01020 0.01530 0.01320