data_global _chemical_name_mineral 'Batisivite' loop_ _publ_author_name 'Armbruster T' 'Kadiyski M' 'Reznitsky L Z' 'Sklyarov E V' 'Galuskin E V' _journal_name_full 'European Journal of Mineralogy' _journal_volume 20 _journal_year 2008 _journal_page_first 975 _journal_page_last 981 _publ_section_title ; Batisivite, the first silicate related to the derbylite-hemloite group ; _database_code_amcsd 0007268 _chemical_compound_source 'Sludyanka complex, Southern Lake Baikal, Siberia, Russia' _chemical_formula_sum 'Ba.51 (V3.08 Cr1.12 Ti2.8) Si.978 O14.489' _cell_length_a 7.5208 _cell_length_b 7.6430 _cell_length_c 9.5724 _cell_angle_alpha 110.204 _cell_angle_beta 103.338 _cell_angle_gamma 98.281 _cell_volume 487.140 _exptl_crystal_density_diffrn 4.626 _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 Ba1 0.50000 0.00000 0.50000 0.77200 0.00876 Ba2 0.50000 -0.50000 0.00000 0.24800 0.01254 VM1 0.11201 0.18952 0.50638 0.44000 0.00471 CrM1 0.11201 0.18952 0.50638 0.16000 0.00471 TiM1 0.11201 0.18952 0.50638 0.40000 0.00471 VM2 0.88625 0.38522 0.69966 0.44000 0.00509 CrM2 0.88625 0.38522 0.69966 0.16000 0.00509 TiM2 0.88625 0.38522 0.69966 0.40000 0.00509 VM3 0.88360 -0.12456 0.19818 0.44000 0.00550 CrM3 0.88360 -0.12456 0.19818 0.16000 0.00550 TiM3 0.88360 -0.12456 0.19818 0.40000 0.00550 VM4 0.11820 0.68600 0.00635 0.44000 0.00589 CrM4 0.11820 0.68600 0.00635 0.16000 0.00589 TiM4 0.11820 0.68600 0.00635 0.40000 0.00589 VM5 0.26870 -0.30331 0.69272 0.44000 0.01001 CrM5 0.26870 -0.30331 0.69272 0.16000 0.01001 TiM5 0.26870 -0.30331 0.69272 0.40000 0.01001 VM6 0.73514 -0.18684 0.80932 0.44000 0.00928 CrM6 0.73514 -0.18684 0.80932 0.16000 0.00928 TiM6 0.73514 -0.18684 0.80932 0.40000 0.00928 VM7 0.50000 -0.50000 0.50000 0.44000 0.00456 CrM7 0.50000 -0.50000 0.50000 0.16000 0.00456 TiM7 0.50000 -0.50000 0.50000 0.40000 0.00456 VM8 0.50000 0.00000 0.00000 0.44000 0.00785 CrM8 0.50000 0.00000 0.00000 0.16000 0.00785 TiM8 0.50000 0.00000 0.00000 0.40000 0.00785 Si1 0.50020 -0.40570 0.18210 0.75100 0.00393 Si2 0.50090 -0.09410 0.31800 0.22700 0.00393 OD1 0.50000 0.00000 0.50000 0.22700 0.00876 OD2 0.50000 -0.50000 0.00000 0.75100 0.01254 O1 0.10010 -0.14680 0.67570 1.00000 0.00608 O2 0.49960 -0.56440 0.27620 1.00000 0.00963 O3 0.93150 0.60650 0.10830 1.00000 0.00481 O4 0.90500 -0.34430 0.82710 1.00000 0.00709 O5 0.92520 0.10770 0.60620 1.00000 0.00507 O6 0.69150 -0.21450 0.29430 1.00000 0.01254 O7 0.50010 -0.07590 0.78240 1.00000 0.00899 O8 0.09590 -0.54630 0.62300 1.00000 0.00747 O9 0.90100 0.05350 0.87440 1.00000 0.00621 O10 0.30310 0.25670 0.41470 1.00000 0.00595 O11 0.31030 -0.30930 0.19890 1.00000 0.01127 O12 0.30190 0.75950 0.91600 1.00000 0.00608 O13 0.70020 -0.14060 0.01530 1.00000 0.00545 O14 0.69470 0.35400 0.51280 1.00000 0.00557 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 Ba1 0.00600 0.00560 0.01250 0.00060 0.00210 0.00180 Ba2 0.01370 0.00720 0.01740 0.00480 0.00310 0.00600 VM1 0.00400 0.00560 0.00360 -0.00010 0.00110 0.00120 CrM1 0.00400 0.00560 0.00360 -0.00010 0.00110 0.00120 TiM1 0.00400 0.00560 0.00360 -0.00010 0.00110 0.00120 VM2 0.00470 0.00640 0.00410 0.00190 0.00100 0.00200 CrM2 0.00470 0.00640 0.00410 0.00190 0.00100 0.00200 TiM2 0.00470 0.00640 0.00410 0.00190 0.00100 0.00200 VM3 0.00490 0.00680 0.00510 0.00190 0.00170 0.00230 CrM3 0.00490 0.00680 0.00510 0.00190 0.00170 0.00230 TiM3 0.00490 0.00680 0.00510 0.00190 0.00170 0.00230 VM4 0.00550 0.00620 0.00500 0.00010 0.00170 0.00150 CrM4 0.00550 0.00620 0.00500 0.00010 0.00170 0.00150 TiM4 0.00550 0.00620 0.00500 0.00010 0.00170 0.00150 VM5 0.01300 0.01050 0.00690 0.00260 0.00350 0.00350 CrM5 0.01300 0.01050 0.00690 0.00260 0.00350 0.00350 TiM5 0.01300 0.01050 0.00690 0.00260 0.00350 0.00350 VM6 0.01120 0.00950 0.00740 0.00230 0.00360 0.00320 CrM6 0.01120 0.00950 0.00740 0.00230 0.00360 0.00320 TiM6 0.01120 0.00950 0.00740 0.00230 0.00360 0.00320 VM7 0.00420 0.00460 0.00370 0.00060 0.00120 0.00060 CrM7 0.00420 0.00460 0.00370 0.00060 0.00120 0.00060 TiM7 0.00420 0.00460 0.00370 0.00060 0.00120 0.00060 VM8 0.00700 0.00850 0.00680 0.00100 0.00240 0.00170 CrM8 0.00700 0.00850 0.00680 0.00100 0.00240 0.00170 TiM8 0.00700 0.00850 0.00680 0.00100 0.00240 0.00170 OD1 0.00600 0.00560 0.01250 0.00060 0.00210 0.00180 OD2 0.01370 0.00720 0.01740 0.00480 0.00310 0.00600 O1 0.00600 0.00700 0.00500 0.00450 0.00000 0.00180 O2 0.00600 0.01000 0.00900 0.00200 0.00100 0.00000 O3 0.00600 0.00400 0.00400 0.00150 0.00130 0.00160 O4 0.00600 0.00800 0.00700 0.00310 0.00100 0.00200 O5 0.00500 0.00500 0.00500 0.00020 0.00120 0.00230 O6 0.00600 0.02300 0.01000 0.00200 0.00200 0.01000 O7 0.00700 0.01100 0.00600 0.00100 0.00200 0.00000 O8 0.00700 0.00600 0.00800 -0.00090 0.00400 0.00140 O9 0.00600 0.00500 0.00800 -0.00060 0.00300 0.00220 O10 0.00500 0.00600 0.00600 -0.00100 0.00190 0.00300 O11 0.00600 0.02100 0.00900 0.00200 0.00200 0.00900 O12 0.00600 0.00600 0.00600 -0.00050 0.00300 0.00190 O13 0.00600 0.00700 0.00400 0.00360 0.00090 0.00290 O14 0.00500 0.00600 0.00600 0.00280 0.00100 0.00350