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: 400shch6 ; _database_code_amcsd 0003889 _chemical_formula_sum 'Fe5.19 Mg.25 Ti.59 Nb.04 Ta.01 (Ca1.69 Na.21 Mn.1) Si4.49 Be.9 Al.54 O20' _cell_length_a 10.355 _cell_length_b 10.751 _cell_length_c 8.873 _cell_angle_alpha 105.757 _cell_angle_beta 96.227 _cell_angle_gamma 124.861 _cell_volume 735.302 _exptl_crystal_density_diffrn 3.959 _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 0.90000 0.00963 Mg1 0.00000 0.00000 0.50000 0.10000 0.00963 Fe2 0.00000 0.50000 0.00000 0.98000 0.00993 Mg2 0.00000 0.50000 0.00000 0.02000 0.00993 Fe3 0.32185 0.85956 0.17419 0.97000 0.00987 Mg3 0.32185 0.85956 0.17419 0.03000 0.00987 Fe4 0.76906 0.82165 0.14405 0.94000 0.01011 Mg4 0.76906 0.82165 0.14405 0.06000 0.01011 Fe5 0.09463 0.94086 0.06167 0.91000 0.01050 Mg5 0.09463 0.94086 0.06167 0.09000 0.01050 Fe6 0.59478 0.94047 0.06207 0.99000 0.01006 Mg6 0.59478 0.94047 0.06207 0.01000 0.01006 Ti7 0.99574 0.73849 0.26030 0.59000 0.01012 Fe7 0.99574 0.73849 0.26030 0.37000 0.01012 Nb7 0.99574 0.73849 0.26030 0.04000 0.01012 Ta7 0.99574 0.73849 0.26030 0.01000 0.01012 Ca8 0.21711 0.63177 0.39355 0.79000 0.01407 Na8 0.21711 0.63177 0.39355 0.16000 0.01407 Mn8 0.21711 0.63177 0.39355 0.05000 0.01407 Ca9 0.65223 0.60171 0.37792 0.90000 0.01519 Na9 0.65223 0.60171 0.37792 0.05000 0.01519 Mn9 0.65223 0.60171 0.37792 0.05000 0.01519 Si1 0.46973 0.23651 0.33263 0.56000 0.00790 Be1 0.46973 0.23651 0.33263 0.44000 0.00790 Si2 0.98320 0.23624 0.34353 1.00000 0.00745 Si3 0.78616 0.34290 0.24127 0.39000 0.00713 Al3 0.78616 0.34290 0.24127 0.54000 0.00713 Fe3 0.78616 0.34290 0.24127 0.07000 0.00713 Si4 0.27293 0.33670 0.22690 0.54000 0.00840 Be4 0.27293 0.33670 0.22690 0.46000 0.00840 Si5 0.64411 0.94272 0.44502 1.00000 0.00663 Si6 0.35661 0.55818 0.05087 1.00000 0.00691 O1 0.34890 0.06510 0.16450 1.00000 0.01110 O2 0.85720 0.06570 0.17310 1.00000 0.01130 O3 0.55510 0.95520 0.29460 1.00000 0.01140 O4 0.01770 0.93430 0.26660 1.00000 0.01570 O5 0.24200 0.87520 0.39420 1.00000 0.01010 O6 0.75000 0.87820 0.39010 1.00000 0.01110 O7 0.49430 0.19610 0.49540 1.00000 0.00920 O8 0.95490 0.78030 0.48850 1.00000 0.01140 O9 0.89090 0.31990 0.37940 1.00000 0.01130 O10 0.39650 0.33840 0.36050 1.00000 0.00880 O11 0.65830 0.16970 0.06670 1.00000 0.01160 O12 0.14850 0.16430 0.06220 1.00000 0.01310 O13 0.52740 0.71010 0.03910 1.00000 0.01130 O14 0.06730 0.73490 0.06470 1.00000 0.01470 O15 0.24590 0.61330 0.11610 1.00000 0.01020 O16 0.74730 0.60200 0.13200 1.00000 0.01050 O17 0.39860 0.49750 0.18670 1.00000 0.00950 O18 0.94240 0.51420 0.22590 1.00000 0.01270 O19 0.16010 0.37100 0.31860 1.00000 0.01140 O20 0.66630 0.36880 0.33740 1.00000 0.01030 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 0.00820 0.00930 0.01120 0.00590 0.00170 0.00390 Mg1 0.00820 0.00930 0.01120 0.00590 0.00170 0.00390 Fe2 0.00680 0.01130 0.00940 0.00530 0.00260 0.00290 Mg2 0.00680 0.01130 0.00940 0.00530 0.00260 0.00290 Fe3 0.00740 0.01200 0.00990 0.00620 0.00283 0.00416 Mg3 0.00740 0.01200 0.00990 0.00620 0.00283 0.00416 Fe4 0.00800 0.01060 0.01220 0.00600 0.00316 0.00498 Mg4 0.00800 0.01060 0.01220 0.00600 0.00316 0.00498 Fe5 0.00820 0.01250 0.01050 0.00680 0.00323 0.00386 Mg5 0.00820 0.01250 0.01050 0.00680 0.00323 0.00386 Fe6 0.00840 0.01100 0.01130 0.00600 0.00309 0.00573 Mg6 0.00840 0.01100 0.01130 0.00600 0.00309 0.00573 Ti7 0.00790 0.01060 0.01060 0.00600 0.00235 0.00291 Fe7 0.00790 0.01060 0.01060 0.00600 0.00235 0.00291 Nb7 0.00790 0.01060 0.01060 0.00600 0.00235 0.00291 Ta7 0.00790 0.01060 0.01060 0.00600 0.00235 0.00291 Ca8 0.01330 0.01340 0.01200 0.00780 0.00340 0.00560 Na8 0.01330 0.01340 0.01200 0.00780 0.00340 0.00560 Mn8 0.01330 0.01340 0.01200 0.00780 0.00340 0.00560 Ca9 0.01330 0.01260 0.01380 0.00240 0.00680 0.00330 Na9 0.01330 0.01260 0.01380 0.00240 0.00680 0.00330 Mn9 0.01330 0.01260 0.01380 0.00240 0.00680 0.00330 Si1 0.00680 0.00790 0.00890 0.00460 0.00340 0.00320 Be1 0.00680 0.00790 0.00890 0.00460 0.00340 0.00320 Si2 0.00650 0.00850 0.00770 0.00500 0.00240 0.00330 Si3 0.00590 0.00740 0.00800 0.00440 0.00220 0.00270 Al3 0.00590 0.00740 0.00800 0.00440 0.00220 0.00270 Fe3 0.00590 0.00740 0.00800 0.00440 0.00220 0.00270 Si4 0.00710 0.00860 0.00840 0.00450 0.00290 0.00340 Be4 0.00710 0.00860 0.00840 0.00450 0.00290 0.00340 Si5 0.00520 0.00700 0.00670 0.00380 0.00150 0.00220 Si6 0.00550 0.00790 0.00780 0.00460 0.00290 0.00300 O1 0.01110 0.00930 0.00940 0.00530 0.00330 0.00260 O2 0.01140 0.01150 0.01130 0.00850 0.00270 0.00270 O3 0.01180 0.01380 0.01050 0.00890 0.00400 0.00530 O4 0.01500 0.01510 0.01260 0.01100 -0.00190 -0.00080 O5 0.01080 0.00810 0.00970 0.00610 0.00140 0.00200 O6 0.00950 0.01130 0.01180 0.00690 0.00380 0.00250 O7 0.00690 0.01010 0.01140 0.00530 0.00350 0.00610 O8 0.00920 0.01230 0.01110 0.00570 0.00390 0.00520 O9 0.01380 0.01440 0.01010 0.01070 0.00500 0.00580 O10 0.00920 0.01070 0.00910 0.00800 0.00310 0.00350 O11 0.01120 0.01320 0.01500 0.00890 0.00640 0.00810 O12 0.01250 0.01210 0.00890 0.00650 0.00240 0.00050 O13 0.00870 0.00990 0.01280 0.00450 0.00390 0.00490 O14 0.00960 0.01390 0.01640 0.00680 0.00340 0.00230 O15 0.00740 0.01100 0.01010 0.00560 0.00260 0.00260 O16 0.00850 0.01060 0.00820 0.00500 0.00120 0.00190 O17 0.00740 0.01090 0.01080 0.00490 0.00390 0.00660 O18 0.01490 0.01370 0.01190 0.01070 0.00400 0.00450 O19 0.01000 0.00910 0.01440 0.00530 0.00680 0.00450 O20 0.00790 0.01030 0.01200 0.00530 0.00520 0.00450