data_global _chemical_name_mineral 'Melanophlogite' loop_ _publ_author_name 'Nakagawa T' 'Kihara K' 'Harada K' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 1506 _journal_page_last 1512 _publ_section_title ; The crystal structure of low melanophlogite ; _database_code_amcsd 0002748 _chemical_formula_sum 'Si23 O46 Mg3 C' _cell_length_a 26.818 _cell_length_b 26.818 _cell_length_c 13.365 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 9612.177 _exptl_crystal_density_diffrn 2.027 _symmetry_space_group_name_H-M 'P 42/n b c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,1/2-z' '1/2-y,1/2+x,1/2+z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' 'y,x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,1/2-z' '1/2+y,1/2-x,1/2+z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si1 0.19275 0.00847 0.30894 0.01469 Si2 0.30728 0.00588 0.31027 0.01418 Si3 0.09507 0.05733 -0.00311 0.01520 Si4 0.40568 0.05722 -0.00631 0.01520 Si5 0.25299 0.15934 0.09941 0.01330 Si6 0.24701 0.15235 0.87135 0.01355 Si7 0.16017 0.09715 0.17183 0.01444 Si8 0.15674 0.08642 0.80804 0.01469 Si9 0.34199 0.09456 0.17469 0.01355 Si10 0.34046 0.08852 0.81046 0.01431 Si11 0.12470 0.00000 0.50000 0.01203 Si12 0.37501 0.00000 0.50000 0.01355 Si13 0.25162 0.24838 0.25000 0.01203 O1 0.03810 0.18010 0.25940 0.04686 O2 0.05900 0.18330 0.74850 0.04154 O3 0.07020 0.11630 0.38890 0.03977 O4 0.06760 0.13620 0.58000 0.03356 O5 0.11710 0.19970 0.36160 0.04281 O6 0.13290 0.20310 0.63220 0.04129 O7 0.31750 0.04990 0.23310 0.04648 O8 0.31970 0.04640 0.73930 0.04534 O9 0.38160 0.07350 0.09760 0.03977 O10 0.36670 0.06380 0.90500 0.03724 O11 0.29950 0.12340 0.11510 0.03521 O12 0.29570 0.12200 0.84720 0.05421 O13 0.15900 0.00930 0.40560 0.04167 O14 0.34070 0.01420 0.40690 0.03293 O15 0.04690 0.09030 0.01960 0.03559 O16 0.45380 0.09060 -0.02850 0.02900 O17 0.26040 0.20940 0.16190 0.02685 O18 0.24120 0.19700 0.79450 0.03470 O19 0.07910 0.00000 0.00000 0.02710 O20 0.42250 0.00000 0.00000 0.02432 O21 0.24990 0.17370 -0.01700 0.02229 O22 -0.00680 0.25010 0.15750 0.02786 O23 0.11850 0.13050 0.22410 0.04066 O24 0.36870 0.13130 0.25000 0.04496 O25 0.12080 0.37920 0.25000 0.05281 MgG1 0.00000 0.00000 0.25000 0.47748 MgG2 0.00000 0.50000 0.25000 0.52687 MgG3 0.25030 0.12430 0.51170 0.38882 CG4 0.25060 0.00000 0.00000 0.07726 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 Si1 0.01312 0.01676 0.01457 -0.00219 0.00145 0.00109 Si2 0.01239 0.01494 0.01502 0.00073 -0.00054 0.00073 Si3 0.01312 0.01530 0.01737 0.00109 -0.00091 -0.00054 Si4 0.01385 0.01457 0.01737 0.00109 -0.00036 -0.00018 Si5 0.01421 0.01312 0.01240 -0.00036 -0.00091 -0.00054 Si6 0.01712 0.01129 0.01222 0.00109 -0.00073 -0.00073 Si7 0.01385 0.01567 0.01403 -0.00182 0.00145 0.00054 Si8 0.01712 0.01312 0.01385 -0.00073 -0.00127 -0.00018 Si9 0.01348 0.01385 0.01321 0.00109 -0.00091 0.00018 Si10 0.01385 0.01421 0.01475 0.00000 0.00091 -0.00163 Si11 0.00874 0.01385 0.01357 0.00000 0.00000 -0.00036 Si12 0.00911 0.01640 0.01529 0.00000 0.00000 -0.00091 Si13 0.01385 0.01385 0.00814 -0.00109 -0.00073 -0.00073 O1 0.03862 0.04773 0.05429 0.01822 -0.02179 -0.00182 O2 0.03644 0.04809 0.03982 0.00182 0.01634 -0.01453 O3 0.05757 0.03680 0.02443 -0.01421 0.00872 0.00853 O4 0.03862 0.02623 0.03529 0.00547 -0.01471 -0.01416 O5 0.04518 0.04955 0.03348 -0.02915 0.00000 -0.01053 O6 0.04591 0.03279 0.04525 -0.01968 0.00636 0.01017 O7 0.04117 0.05028 0.04796 -0.01166 0.00182 0.03087 O8 0.05502 0.03680 0.04434 -0.00984 -0.01089 -0.01997 O9 0.03971 0.04809 0.03167 0.01457 0.01453 -0.00563 O10 0.03316 0.04154 0.03710 -0.00255 -0.01870 0.00944 O11 0.03644 0.03571 0.03348 0.01749 -0.01162 0.00054 O12 0.05210 0.06886 0.04163 0.03971 0.00545 -0.01089 O13 0.03097 0.06267 0.03167 -0.00619 0.01907 0.00182 O14 0.02915 0.04008 0.02986 0.00874 -0.01689 -0.00472 O15 0.02405 0.03425 0.04887 0.01567 0.00054 0.00345 O16 0.02623 0.02660 0.03348 -0.01202 0.00091 -0.00418 O17 0.03716 0.02587 0.01719 -0.00182 0.00236 -0.00926 O18 0.06267 0.01968 0.02172 -0.00291 -0.00508 0.00472 O19 0.03279 0.01312 0.03529 0.00000 0.00000 0.00073 O20 0.02696 0.01385 0.03258 0.00000 0.00000 0.00036 O21 0.03097 0.02478 0.01086 0.00291 -0.00381 -0.00163 O22 0.03826 0.01275 0.03258 -0.00109 0.00163 0.00054 O23 0.04044 0.05101 0.03077 0.01275 0.01217 -0.00890 O24 0.04627 0.04627 0.04253 -0.00547 -0.01816 -0.01816 O25 0.05647 0.05647 0.04525 -0.02878 0.01453 0.01453 MgG1 0.54653 0.54653 0.31672 0.00000 0.00000 0.00000 MgG2 0.65584 0.65584 0.27147 0.06923 0.00000 0.00000 MgG3 0.46637 0.24776 0.45246 -0.00364 0.03995 -0.01634 CG4 0.08744 0.08744 0.06063 0.00000 0.00000 0.00000