data_global _chemical_name_mineral 'Makarochkinite' loop_ _publ_author_name 'Grew E S' 'Barbier J' 'Britten J' 'Yates M G' 'Polyakov V O' 'Shcherbakova E P' 'Halenius U' 'Shearer C K' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1402 _journal_page_last 1412 _publ_section_title ; Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern Urals), Russia Sample: 3319 ; _database_code_amcsd 0003890 _chemical_formula_sum 'Fe5.145 Mg.225 Ti.54 Nb.07 Al.48 Sn.02 Ca1.77 Na.19 Mn.04 Si4.52 Be O20' _cell_length_a 10.373 _cell_length_b 10.768 _cell_length_c 8.878 _cell_angle_alpha 105.794 _cell_angle_beta 96.183 _cell_angle_gamma 124.934 _cell_volume 737.315 _exptl_crystal_density_diffrn 3.936 _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 Fe1 0.00000 0.00000 0.50000 0.89000 0.00964 Mg1 0.00000 0.00000 0.50000 0.11000 0.00964 Fe2 0.00000 0.50000 0.00000 0.96000 0.00992 Mg2 0.00000 0.50000 0.00000 0.04000 0.00992 Fe3 0.32172 0.85979 0.17426 0.96000 0.01006 Fe3 0.32172 0.85979 0.17426 0.04000 0.01006 Fe4 0.76926 0.82159 0.14378 0.92000 0.01004 Mg4 0.76926 0.82159 0.14378 0.08000 0.01004 Fe5 0.09434 0.94053 0.06216 0.95000 0.01021 Mg5 0.09434 0.94053 0.06216 0.05000 0.01021 Fe6 0.59459 0.94022 0.06189 0.98000 0.01007 Mg6 0.59459 0.94022 0.06189 0.02000 0.01007 Ti7 0.99563 0.73815 0.26092 0.54000 0.00995 Fe7 0.99563 0.73815 0.26092 0.32000 0.00995 Nb7 0.99563 0.73815 0.26092 0.07000 0.00995 Al7 0.99563 0.73815 0.26092 0.05000 0.00995 Sn7 0.99563 0.73815 0.26092 0.02000 0.00995 Ca8 0.21745 0.63164 0.39374 0.89000 0.01473 Na8 0.21745 0.63164 0.39374 0.11000 0.01473 Ca9 0.65186 0.60110 0.37816 0.88000 0.01587 Na9 0.65186 0.60110 0.37816 0.08000 0.01587 Mn9 0.65186 0.60110 0.37816 0.04000 0.01587 Si1 0.46915 0.23656 0.33224 0.52000 0.00770 Be1 0.46915 0.23656 0.33224 0.48000 0.00770 Si2 0.98342 0.23624 0.34327 1.00000 0.00798 Si3 0.78594 0.34268 0.24096 0.52000 0.00763 Al3 0.78594 0.34268 0.24096 0.43000 0.00763 Fe3 0.78594 0.34268 0.24096 0.05000 0.00763 Si4 0.27314 0.33656 0.22716 0.48000 0.00720 Be4 0.27314 0.33656 0.22716 0.52000 0.00720 Si5 0.64385 0.94276 0.44551 1.00000 0.00712 Si6 0.35649 0.55775 0.05069 1.00000 0.00738 O1 0.34960 0.06600 0.16480 1.00000 0.01150 O2 0.85680 0.06570 0.17300 1.00000 0.01170 O3 0.55410 0.95450 0.29380 1.00000 0.01140 O4 0.01770 0.93460 0.26730 1.00000 0.01570 O5 0.24290 0.87510 0.39340 1.00000 0.01060 O6 0.75010 0.87810 0.38970 1.00000 0.01100 O7 0.49400 0.19650 0.49500 1.00000 0.01100 O8 0.95490 0.78070 0.48890 1.00000 0.01110 O9 0.89010 0.31900 0.37940 1.00000 0.01150 O10 0.39640 0.33810 0.36080 1.00000 0.00990 O11 0.65820 0.16960 0.06630 1.00000 0.01130 O12 0.14880 0.16500 0.06300 1.00000 0.01160 O13 0.52710 0.71020 0.03980 1.00000 0.01120 O14 0.06730 0.73420 0.06430 1.00000 0.01450 O15 0.24610 0.61270 0.11630 1.00000 0.01010 O16 0.74630 0.60200 0.13280 1.00000 0.01100 O17 0.39860 0.49700 0.18660 1.00000 0.01020 O18 0.94240 0.51360 0.22420 1.00000 0.01390 O19 0.16020 0.37150 0.31870 1.00000 0.01160 O20 0.66610 0.36970 0.33710 1.00000 0.01020 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 Fe1 0.00810 0.00760 0.01150 0.00410 0.00210 0.00440 Mg1 0.00810 0.00760 0.01150 0.00410 0.00210 0.00440 Fe2 0.00680 0.00960 0.01040 0.00360 0.00305 0.00440 Mg2 0.00680 0.00960 0.01040 0.00360 0.00305 0.00440 Fe3 0.00794 0.01033 0.01047 0.00471 0.00325 0.00494 Fe3 0.00794 0.01033 0.01047 0.00471 0.00325 0.00494 Fe4 0.00797 0.00939 0.01267 0.00487 0.00349 0.00583 Mg4 0.00797 0.00939 0.01267 0.00487 0.00349 0.00583 Fe5 0.00810 0.01058 0.01051 0.00509 0.00302 0.00452 Mg5 0.00810 0.01058 0.01051 0.00509 0.00302 0.00452 Fe6 0.00847 0.00907 0.01225 0.00450 0.00333 0.00642 Mg6 0.00847 0.00907 0.01225 0.00450 0.00333 0.00642 Ti7 0.00793 0.00875 0.01090 0.00444 0.00247 0.00344 Fe7 0.00793 0.00875 0.01090 0.00444 0.00247 0.00344 Nb7 0.00793 0.00875 0.01090 0.00444 0.00247 0.00344 Al7 0.00793 0.00875 0.01090 0.00444 0.00247 0.00344 Sn7 0.00793 0.00875 0.01090 0.00444 0.00247 0.00344 Ca8 0.01450 0.01290 0.01420 0.00690 0.00370 0.00700 Na8 0.01450 0.01290 0.01420 0.00690 0.00370 0.00700 Ca9 0.01170 0.00920 0.01250 -0.00050 0.00650 0.00310 Na9 0.01170 0.00920 0.01250 -0.00050 0.00650 0.00310 Mn9 0.01170 0.00920 0.01250 -0.00050 0.00650 0.00310 Si1 0.00780 0.00640 0.00840 0.00390 0.00310 0.00370 Be1 0.00780 0.00640 0.00840 0.00390 0.00310 0.00370 Si2 0.00720 0.00720 0.00880 0.00400 0.00240 0.00390 Si3 0.00630 0.00690 0.00880 0.00340 0.00220 0.00420 Al3 0.00630 0.00690 0.00880 0.00340 0.00220 0.00420 Fe3 0.00630 0.00690 0.00880 0.00340 0.00220 0.00420 Si4 0.00600 0.00550 0.00820 0.00240 0.00220 0.00330 Be4 0.00600 0.00550 0.00820 0.00240 0.00220 0.00330 Si5 0.00600 0.00590 0.00780 0.00280 0.00150 0.00320 Si6 0.00540 0.00620 0.00890 0.00250 0.00250 0.00390 O1 0.01230 0.00800 0.01070 0.00510 0.00320 0.00270 O2 0.01100 0.01160 0.01080 0.00710 0.00210 0.00290 O3 0.01070 0.01210 0.01210 0.00720 0.00350 0.00580 O4 0.01580 0.01620 0.01440 0.01200 0.00000 0.00240 O5 0.00910 0.00750 0.01000 0.00350 0.00110 0.00220 O6 0.00980 0.01030 0.01180 0.00600 0.00400 0.00370 O7 0.01010 0.01060 0.01100 0.00460 0.00440 0.00700 O8 0.01070 0.01160 0.01330 0.00710 0.00520 0.00730 O9 0.01340 0.01260 0.01120 0.00910 0.00440 0.00600 O10 0.00910 0.00900 0.01040 0.00550 0.00150 0.00380 O11 0.00950 0.00980 0.01670 0.00620 0.00610 0.00690 O12 0.01030 0.00890 0.01040 0.00440 0.00280 0.00160 O13 0.00840 0.01020 0.01470 0.00490 0.00550 0.00660 O14 0.00960 0.01180 0.01640 0.00550 0.00420 0.00150 O15 0.00820 0.01130 0.01060 0.00620 0.00300 0.00380 O16 0.00730 0.00890 0.01080 0.00270 0.00180 0.00300 O17 0.00870 0.00860 0.01180 0.00390 0.00330 0.00640 O18 0.01520 0.01460 0.01390 0.00980 0.00490 0.00740 O19 0.00940 0.00900 0.01590 0.00430 0.00740 0.00680 O20 0.00910 0.00810 0.01100 0.00390 0.00320 0.00470