data_global _chemical_name_mineral 'Malinkoite' loop_ _publ_author_name 'Sokolova E V' 'Hawthorne F C' 'Khomyakov A P' _journal_name_full 'The Canadian Mineralogist' _journal_volume 39 _journal_year 2001 _journal_page_first 159 _journal_page_last 169 _publ_section_title ; The crystal chemistry of malinkoite, NaBSiO4, and lisitsynite, KBSi2O6, from the Khibina-Lovozero complex, Kola Peninsula, Russia ; _database_code_amcsd 0005709 _chemical_compound_source 'Khibina-Lovozero complex, Kola Peninsula, Russia' _chemical_formula_sum 'Si B Na O4' _cell_length_a 13.8964 _cell_length_b 13.8964 _cell_length_c 7.7001 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 1287.750 _exptl_crystal_density_diffrn 2.922 _symmetry_space_group_name_H-M 'P 63' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,x,1/2+z' '-y,x-y,z' '-x,-y,1/2+z' '-x+y,-x,z' 'y,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Si1 0.87861 0.78275 0.33250 0.00770 Si2 0.78805 0.55086 0.73950 0.00610 Si3 0.43112 0.54549 0.74560 0.00610 B1 0.55240 0.76570 0.86650 0.00860 B2 0.56700 0.45370 0.86730 0.00890 B3 0.12060 0.21910 0.21370 0.00540 Na1 0.00000 0.00000 0.05340 0.01660 Na2 0.65420 0.66680 0.56730 0.01350 Na3 0.33333 0.66667 0.52460 0.01830 Na4 0.66667 0.33333 0.52330 0.01970 Na5 0.31150 0.32620 0.50230 0.01680 O1 0.86520 0.66260 0.28710 0.00820 O2 0.53890 0.53500 0.79110 0.00860 O3 0.80120 0.67140 0.78470 0.00800 O4 0.86920 0.52880 0.86390 0.00810 O5 0.00830 0.87770 0.31180 0.00890 O6 0.39310 0.51130 0.54560 0.01030 O7 0.32690 0.46470 0.86830 0.00870 O8 0.84290 0.78730 0.53270 0.01020 O9 0.65890 0.45590 0.76710 0.00890 O10 0.82450 0.54790 0.54180 0.00920 O11 0.46480 0.67580 0.76260 0.00970 O12 0.79980 0.80640 0.20490 0.01080 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 Si1 0.00700 0.00650 0.00990 0.00350 0.00090 0.00040 Si2 0.00620 0.00720 0.00560 0.00380 -0.00060 0.00050 Si3 0.00600 0.00610 0.00570 0.00260 0.00080 0.00090 B1 0.00750 0.00870 0.00790 0.00290 -0.00140 0.00100 B2 0.00900 0.00810 0.01070 0.00490 -0.00020 -0.00220 B3 0.00550 0.00840 0.00330 0.00420 -0.00100 0.00120 Na1 0.01830 0.01830 0.01310 0.00910 0.00000 0.00000 Na2 0.00920 0.02210 0.00560 0.00510 0.00000 -0.00030 Na3 0.01800 0.01800 0.01900 0.00900 0.00000 0.00000 Na4 0.01880 0.01880 0.02130 0.00940 0.00000 0.00000 Na5 0.02070 0.01360 0.01650 0.00890 -0.00220 0.00050 O1 0.00860 0.00670 0.00790 0.00280 0.00360 0.00140 O2 0.00820 0.00900 0.01050 0.00570 0.00130 0.00360 O3 0.00930 0.00500 0.00880 0.00300 0.00140 0.00080 O4 0.01130 0.00950 0.00570 0.00680 -0.00220 -0.00200 O5 0.00740 0.00860 0.01050 0.00380 0.00360 -0.00020 O6 0.01200 0.00940 0.00520 0.00200 -0.00050 -0.00080 O7 0.00710 0.01130 0.00760 0.00450 0.00040 0.00340 O8 0.00970 0.01430 0.00600 0.00540 0.00020 0.00060 O9 0.00420 0.00820 0.01280 0.00200 0.00080 -0.00140 O10 0.00950 0.01430 0.00540 0.00720 0.00150 0.00060 O11 0.00890 0.00580 0.01370 0.00320 -0.00240 0.00000 O12 0.01340 0.00970 0.01160 0.00750 -0.00300 -0.00030