data_global _chemical_name_mineral 'Hogtuvaite' 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: N86 ; _database_code_amcsd 0003891 _chemical_formula_sum 'Fe5.61 Mg.12 Ti.24 Al.38 Sn.03 (Ca1.71 Na.29) Si4.56 Be1.06 O20' _cell_length_a 10.322 _cell_length_b 10.729 _cell_length_c 8.8624 _cell_angle_alpha 105.802 _cell_angle_beta 96.185 _cell_angle_gamma 124.758 _cell_volume 731.673 _exptl_crystal_density_diffrn 3.969 _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 0.96000 0.00930 Mg1 0.00000 0.00000 0.50000 0.04000 0.00930 Fe2 0.00000 0.50000 0.00000 0.98000 0.00910 Mg2 0.00000 0.50000 0.00000 0.02000 0.00910 Fe3 0.32158 0.86003 0.17413 1.00000 0.00920 Fe4 0.77030 0.82192 0.14404 0.97000 0.00930 Mg4 0.77030 0.82192 0.14404 0.03000 0.00930 Fe5 0.09624 0.94393 0.06329 0.94000 0.00963 Mg5 0.09624 0.94393 0.06329 0.06000 0.00963 Fe6 0.59480 0.94021 0.06198 1.00000 0.00915 Ti7 0.99496 0.73673 0.26250 0.24000 0.00937 Fe7 0.99496 0.73673 0.26250 0.70000 0.00937 Al7 0.99496 0.73673 0.26250 0.03000 0.00937 Sn7 0.99496 0.73673 0.26250 0.03000 0.00937 Ca8 0.21814 0.63211 0.39465 0.73000 0.01250 Na8 0.21814 0.63211 0.39465 0.27000 0.01250 Ca9 0.65129 0.60064 0.37812 0.98000 0.01520 Na9 0.65129 0.60064 0.37812 0.02000 0.01520 Si1 0.46910 0.23750 0.33240 0.50000 0.00650 Be1 0.46910 0.23750 0.33240 0.50000 0.00650 Si2 0.98260 0.23560 0.34240 0.90000 0.00540 Be2 0.98260 0.23560 0.34240 0.05000 0.00540 Al2 0.98260 0.23560 0.34240 0.05000 0.00540 Si3 0.78600 0.34260 0.24170 0.67000 0.00560 Al3 0.78600 0.34260 0.24170 0.30000 0.00560 Fe3 0.78600 0.34260 0.24170 0.03000 0.00560 Si4 0.27280 0.33630 0.22650 0.49000 0.00640 Be4 0.27280 0.33630 0.22650 0.51000 0.00640 Si5 0.64348 0.94276 0.44604 1.00000 0.00580 Si6 0.35714 0.55803 0.05037 1.00000 0.00590 O1 0.35070 0.06590 0.16520 1.00000 0.01010 O2 0.85560 0.06390 0.17310 1.00000 0.01050 O3 0.55430 0.95400 0.29470 1.00000 0.01020 O4 0.01590 0.93500 0.26970 1.00000 0.01250 O5 0.24280 0.87510 0.39290 1.00000 0.00810 O6 0.75080 0.87920 0.38980 1.00000 0.00850 O7 0.49400 0.19690 0.49550 1.00000 0.00820 O8 0.95390 0.78030 0.48960 1.00000 0.00910 O9 0.88940 0.31800 0.37980 1.00000 0.01050 O10 0.39560 0.33770 0.36090 1.00000 0.00900 O11 0.65670 0.16940 0.06590 1.00000 0.01160 O12 0.14890 0.16510 0.06070 1.00000 0.01050 O13 0.52830 0.71080 0.04070 1.00000 0.00830 O14 0.06730 0.73300 0.06320 1.00000 0.01250 O15 0.24420 0.61240 0.11370 1.00000 0.01100 O16 0.74430 0.60100 0.13220 1.00000 0.00900 O17 0.39840 0.49760 0.18720 1.00000 0.00900 O18 0.94230 0.51290 0.22290 1.00000 0.01280 O19 0.15780 0.36930 0.31670 1.00000 0.00960 O20 0.66610 0.36980 0.33650 1.00000 0.01010 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 0.00600 0.00500 0.01270 0.00190 0.00200 0.00280 Mg1 0.00600 0.00500 0.01270 0.00190 0.00200 0.00280 Fe2 0.00540 0.00790 0.00970 0.00220 0.00370 0.00250 Mg2 0.00540 0.00790 0.00970 0.00220 0.00370 0.00250 Fe3 0.00660 0.00900 0.01030 0.00390 0.00310 0.00420 Fe4 0.00730 0.00710 0.01240 0.00360 0.00310 0.00460 Mg4 0.00730 0.00710 0.01240 0.00360 0.00310 0.00460 Fe5 0.00560 0.01030 0.01230 0.00320 0.00500 0.00740 Mg5 0.00560 0.01030 0.01230 0.00320 0.00500 0.00740 Fe6 0.00620 0.00620 0.01220 0.00190 0.00340 0.00500 Ti7 0.00740 0.00780 0.01070 0.00380 0.00310 0.00320 Fe7 0.00740 0.00780 0.01070 0.00380 0.00310 0.00320 Al7 0.00740 0.00780 0.01070 0.00380 0.00310 0.00320 Sn7 0.00740 0.00780 0.01070 0.00380 0.00310 0.00320 Ca8 0.01230 0.00970 0.01240 0.00500 0.00360 0.00520 Na8 0.01230 0.00970 0.01240 0.00500 0.00360 0.00520 Ca9 0.01080 0.00850 0.01170 -0.00130 0.00600 0.00280 Na9 0.01080 0.00850 0.01170 -0.00130 0.00600 0.00280 Si1 0.00600 0.00510 0.00740 0.00260 0.00260 0.00340 Be1 0.00600 0.00510 0.00740 0.00260 0.00260 0.00340 Si2 0.00460 0.00500 0.00690 0.00250 0.00290 0.00360 Be2 0.00460 0.00500 0.00690 0.00250 0.00290 0.00360 Al2 0.00460 0.00500 0.00690 0.00250 0.00290 0.00360 Si3 0.00320 0.00310 0.00820 0.00100 0.00190 0.00210 Al3 0.00320 0.00310 0.00820 0.00100 0.00190 0.00210 Fe3 0.00320 0.00310 0.00820 0.00100 0.00190 0.00210 Si4 0.00610 0.00550 0.00850 0.00330 0.00470 0.00390 Be4 0.00610 0.00550 0.00850 0.00330 0.00470 0.00390 Si5 0.00520 0.00480 0.00600 0.00240 0.00180 0.00250 Si6 0.00420 0.00350 0.00850 0.00130 0.00380 0.00290 O1 0.01200 0.00800 0.00500 0.00300 0.00190 0.00190 O2 0.01000 0.00800 0.00700 0.00500 0.00040 0.00100 O3 0.01100 0.00900 0.00800 0.00500 0.00210 0.00440 O4 0.01400 0.01200 0.01100 0.01000 0.00250 0.00250 O5 0.00900 0.00500 0.00600 0.00300 -0.00030 0.00190 O6 0.00700 0.00700 0.01400 0.00400 0.00490 0.00540 O7 0.00600 0.00800 0.00760 0.00210 0.00360 0.00390 O8 0.01200 0.00800 0.01100 0.00600 0.00600 0.00820 O9 0.01300 0.01200 0.01100 0.00800 0.00810 0.00770 O10 0.01200 0.01200 0.01100 0.00900 0.00780 0.00900 O11 0.00900 0.01000 0.01700 0.00500 0.00900 0.00660 O12 0.01000 0.01000 0.01100 0.00600 0.00370 0.00260 O13 0.00600 0.00800 0.01100 0.00320 0.00500 0.00610 O14 0.00700 0.01200 0.01200 0.00400 0.00410 0.00240 O15 0.01000 0.01200 0.01200 0.00700 0.00390 0.00670 O16 0.00600 0.00800 0.01100 0.00300 0.00430 0.00510 O17 0.00500 0.01200 0.01200 0.00530 0.00440 0.00900 O18 0.00800 0.01100 0.01500 0.00600 -0.00070 0.00300 O19 0.01200 0.00500 0.01500 0.00600 0.00850 0.00490 O20 0.00500 0.00600 0.01300 0.00140 0.00260 0.00310