data_global _chemical_name_mineral 'Watatsumiite' loop_ _publ_author_name 'Matsubara S' 'Miyawaki R' 'Kurosawa M' 'Suzuki Y' _journal_name_full 'Journal of Mineralogical and Petrological Sciences' _journal_volume 98 _journal_year 2003 _journal_page_first 142 _journal_page_last 150 _publ_section_title ; Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate Prefecture, Japan ; _database_code_amcsd 0013131 _chemical_compound_source 'metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan' _chemical_formula_sum '(K.95 Ba.05) Na2 Li (Mn1.569 Mg.431) (V1.66 Ti.34) Si8 O24' _cell_length_a 16.450 _cell_length_b 12.492 _cell_length_c 9.995 _cell_angle_alpha 90 _cell_angle_beta 115.32 _cell_angle_gamma 90 _cell_volume 1856.595 _exptl_crystal_density_diffrn 3.231 _symmetry_space_group_name_H-M 'C 1 c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+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 K -0.00040 0.42412 0.24960 0.95000 0.02870 BaK -0.00040 0.42412 0.24960 0.05000 0.02870 Na1 0.26290 0.19660 0.30550 1.00000 0.01940 Na2 -0.26490 -0.19750 -0.30640 1.00000 0.01710 Li 0.49630 0.43480 0.24900 1.00000 0.01980 MnM1a -0.34011 -0.31677 -0.09590 0.84600 0.01190 MgM1a -0.34011 -0.31677 -0.09590 0.15400 0.01190 VM1 0.34007 0.31650 0.09554 0.83000 0.01150 TiM1 0.34007 0.31650 0.09554 0.17000 0.01150 MnM2a -0.08659 -0.05667 -0.11019 0.72300 0.00870 MgM2a -0.08659 -0.05667 -0.11019 0.27700 0.00870 VM2 0.08647 0.05687 0.11034 0.83000 0.01100 TiM2 0.08647 0.05687 0.11034 0.17000 0.01100 Si1 0.14605 0.40656 0.06310 1.00000 0.00570 Si1a -0.14623 -0.40574 -0.06360 1.00000 0.00790 Si2 0.52314 0.22613 0.08400 1.00000 0.00740 Si2a -0.52323 -0.22624 -0.08420 1.00000 0.00660 Si3 0.76904 0.47440 0.10740 1.00000 0.00800 Si3a -0.76895 -0.47445 -0.10680 1.00000 0.00560 Si4 0.89541 0.15009 0.08380 1.00000 0.00600 Si4a -0.89530 -0.15001 -0.08410 1.00000 0.00740 O1 0.95400 0.04760 0.07330 1.00000 0.01200 O1a -0.95490 -0.04800 -0.07390 1.00000 0.00710 O2 0.45780 0.32660 0.06830 1.00000 0.01630 O2a -0.45740 -0.32800 -0.06870 1.00000 0.00760 O3 0.10900 0.16820 0.26150 1.00000 0.01020 O3a -0.10950 -0.16970 -0.26180 1.00000 0.01440 O4 0.37050 0.43250 0.22870 1.00000 0.02110 O4a -0.37840 -0.45470 -0.26740 1.00000 0.01590 O5 0.20670 0.07600 0.09370 1.00000 0.01080 O5a -0.20490 -0.07490 -0.09320 1.00000 0.01070 O6 0.71100 0.36600 0.04350 1.00000 0.01100 O6a -0.70860 -0.36720 -0.04060 1.00000 0.01120 O7 0.20940 0.30690 0.07520 1.00000 0.01330 O7a -0.20940 -0.30550 -0.07570 1.00000 0.01360 O8 0.83160 0.49120 0.01830 1.00000 0.00970 O8a -0.83000 -0.49340 -0.01660 1.00000 0.01050 O9 0.16100 0.44950 0.22850 1.00000 0.01230 O9a -0.15890 -0.44910 -0.22230 1.00000 0.01200 O10 0.39720 0.20880 0.25510 1.00000 0.01390 O10a -0.39550 -0.20730 -0.25750 1.00000 0.01170 O11 0.46220 0.11810 0.02500 1.00000 0.01240 O11a -0.45930 -0.11840 -0.02190 1.00000 0.00800 O12 0.92940 0.25610 0.03250 1.00000 0.01120 O12a -0.92940 -0.25960 -0.03090 1.00000 0.00990 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 K 0.01210 0.05370 0.01900 0.00250 0.00550 -0.00470 BaK 0.01210 0.05370 0.01900 0.00250 0.00550 -0.00470 Na1 0.01400 0.02500 0.02100 -0.00270 0.00910 -0.00260 Na2 0.01390 0.01780 0.01900 -0.00790 0.00680 -0.00840 Li 0.01500 0.02100 0.02200 0.00000 0.00700 0.01400 MnM1a 0.00880 0.01610 0.11660 0.00400 0.00500 0.00590 MgM1a 0.00880 0.01610 0.11660 0.00400 0.00500 0.00590 VM1 0.00600 0.01580 0.01360 0.00370 0.00520 0.00650 TiM1 0.00600 0.01580 0.01360 0.00370 0.00520 0.00650 MnM2a 0.00280 0.01470 0.00830 -0.00050 0.00210 -0.00460 MgM2a 0.00280 0.01470 0.00830 -0.00050 0.00210 -0.00460 VM2 0.00850 0.01490 0.00940 -0.00070 0.00370 -0.00290 TiM2 0.00850 0.01490 0.00940 -0.00070 0.00370 -0.00290 Si1 0.00520 0.00450 0.00750 -0.00020 0.00270 -0.00160 Si1a 0.00690 0.00790 0.00920 0.00040 0.00370 0.00230 Si2 0.00660 0.00650 0.00920 -0.00020 0.00340 0.00040 Si2a 0.00390 0.00650 0.00810 -0.00120 0.00130 -0.00180 Si3 0.00460 0.00820 0.00990 0.00060 0.00180 -0.00040 Si3a 0.00590 0.00550 0.00550 0.00010 0.00260 0.00130 Si4 0.00610 0.00450 0.00760 -0.00110 0.00320 -0.00060 Si4a 0.00530 0.00810 0.00870 0.00130 0.00280 0.00020 O1 0.01200 0.00900 0.01700 0.00700 0.00900 0.00000 O1a 0.00500 0.00700 0.00700 -0.00330 0.00010 0.00010 O2 0.01100 0.02200 0.01800 0.00100 0.00800 0.00000 O2a 0.00800 0.00000 0.01300 0.00210 0.00300 -0.00330 O3 0.01300 0.01000 0.01000 -0.00300 0.00600 -0.00400 O3a 0.01400 0.01600 0.01600 0.00000 0.00900 0.00500 O4 0.01230 0.02000 0.03500 0.00810 0.01390 0.02110 O4a 0.01570 0.01540 0.01650 -0.00140 0.00680 -0.00370 O5 0.00500 0.01400 0.01200 0.00400 0.00200 0.00400 O5a 0.01000 0.00500 0.01600 0.00030 0.00500 -0.00600 O6 0.00800 0.01000 0.01000 -0.00100 -0.00100 0.00500 O6a 0.00600 0.00600 0.02100 -0.00080 0.00500 -0.00200 O7 0.00800 0.01200 0.02100 0.00100 0.00800 0.00300 O7a 0.01800 0.00900 0.01800 0.01000 0.01100 0.00600 O8 0.00700 0.00300 0.01800 -0.00150 0.00500 0.00280 O8a 0.01200 0.01200 0.01200 0.00300 0.00900 0.00440 O9 0.00900 0.01600 0.01000 0.00500 0.00300 0.00370 O9a 0.00900 0.01900 0.00500 -0.00600 -0.00040 -0.00740 O10 0.01000 0.01800 0.01200 0.00100 0.00300 0.00300 O10a 0.00800 0.01200 0.01000 -0.00200 -0.00200 -0.00300 O11 0.00400 0.01300 0.01900 -0.00280 0.00400 0.00000 O11a 0.01000 0.00300 0.00800 -0.00220 0.00200 -0.00390 O12 0.01100 0.01000 0.01500 -0.00300 0.00800 -0.00100 O12a 0.01300 0.00500 0.01700 0.00000 0.01000 0.00100