data_global _chemical_name_mineral 'Lomonosovite' loop_ _publ_author_name 'Camara F' 'Sokolova E' 'Hawthorne F C' 'Abdu Y' _journal_name_full 'Mineralogical Magazine' _journal_volume 72 _journal_year 2008 _journal_page_first 1207 _journal_page_last 1228 _publ_section_title ; From structure topology to chemical composition. IX. Titanium silicates: revision of the crystal chemistry of lomonosovite and murmanite, Group-IV minerals ; _database_code_amcsd 0018518 _chemical_compound_source 'Lovozero alkaline massif, Russia' _chemical_formula_sum 'Na4.75 Ca.055 Mn.215 Ti1.415 Nb.255 Fe.08 Ta.005 Zr.055 Mg.055 Si2 P O13' _cell_length_a 5.4170 _cell_length_b 7.1190 _cell_length_c 14.487 _cell_angle_alpha 99.957 _cell_angle_beta 96.711 _cell_angle_gamma 90.360 _cell_volume 546.286 _exptl_crystal_density_diffrn 3.171 _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 Na(1) 0.17183 0.41851 0.23393 0.97500 0.01759 Na(2) 0.75658 0.88235 -0.00370 0.97500 0.02310 Na(3) 0.67740 0.97076 0.36205 0.94500 0.01881 Ca(3) 0.67740 0.97076 0.36205 0.05500 0.01881 Na(4) 0.67504 0.45798 0.39770 0.85500 0.02085 Mn2+(4) 0.67504 0.45798 0.39770 0.08000 0.02085 Na(5) 0.23789 0.74012 0.41534 1.00000 0.02180 Ti(1) 0.16618 0.92849 0.21810 0.76000 0.00803 Mn2+(1) 0.16618 0.92849 0.21810 0.02500 0.00803 Nb(1) 0.16618 0.92849 0.21810 0.15500 0.00803 Fe3+(1) 0.16618 0.92849 0.21810 0.03000 0.00803 Ta(1) 0.16618 0.92849 0.21810 0.00500 0.00803 Fe2+(1) 0.16618 0.92849 0.21810 0.02500 0.00803 Ti(2) 0.77151 0.38667 -0.00770 0.65500 0.01302 Mn2+(2) 0.77151 0.38667 -0.00770 0.11000 0.01302 Nb(2) 0.77151 0.38667 -0.00770 0.10000 0.01302 Zr(2) 0.77151 0.38667 -0.00770 0.05500 0.01302 Mg(2) 0.77151 0.38667 -0.00770 0.05500 0.01302 Fe2+(2) 0.77151 0.38667 -0.00770 0.02500 0.01302 Si(1) 0.66652 0.20422 0.17702 1.00000 0.00734 Si(2) 0.64975 0.64040 0.19841 1.00000 0.00697 P 0.17814 0.22491 0.43221 1.00000 0.00901 O(1) 0.67330 0.42899 0.23057 1.00000 0.01320 O(2) 0.63916 0.19579 0.06524 1.00000 0.01290 O(3) 0.92870 0.12230 0.21347 1.00000 0.01940 O(4) 0.43660 0.10347 0.21026 1.00000 0.02190 O(5) 0.59482 0.60837 0.08374 1.00000 0.01270 O(6) 0.90590 0.75276 0.24541 1.00000 0.01430 O(7) 0.41669 0.73437 0.24916 1.00000 0.01170 O(8) 0.12981 0.83454 0.09180 1.00000 0.01460 O(9) 0.08800 0.42270 0.07013 1.00000 0.01400 O(10) 0.23599 0.03479 0.36655 1.00000 0.01280 O(11) 0.90049 0.22363 0.44212 1.00000 0.01870 O(12) 0.24970 0.39967 0.39089 1.00000 0.01810 O(13) 0.32940 0.23068 0.52885 1.00000 0.02020 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 Na(1) 0.01700 0.02170 0.01390 -0.00370 0.00060 0.00350 Na(2) 0.01260 0.01590 0.03560 0.00290 -0.00520 -0.00450 Na(3) 0.02220 0.01420 0.01810 -0.00028 -0.00070 -0.00057 Ca(3) 0.02220 0.01420 0.01810 -0.00028 -0.00070 -0.00057 Na(4) 0.02670 0.01610 0.01860 0.00330 0.00080 0.00110 Mn2+(4) 0.02670 0.01610 0.01860 0.00330 0.00080 0.00110 Na(5) 0.03120 0.01550 0.02030 0.00240 0.00550 0.00580 Ti(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Mn2+(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Nb(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Fe3+(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Ta(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Fe2+(1) 0.00720 0.00757 0.00951 0.00042 0.00135 0.00179 Ti(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Mn2+(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Nb(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Zr(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Mg(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Fe2+(2) 0.01771 0.01111 0.00982 0.00247 0.00013 0.00161 Si(1) 0.00813 0.00652 0.00755 0.00007 0.00122 0.00152 Si(2) 0.00819 0.00614 0.00644 0.00011 0.00051 0.00092 P 0.01012 0.00799 0.00866 0.00022 0.00141 0.00056 O(1) 0.02330 0.00640 0.00980 0.00170 0.00190 0.00150 O(2) 0.01560 0.01440 0.00810 0.00090 0.00070 0.00130 O(3) 0.01740 0.01800 0.02150 0.00910 -0.00360 0.00350 O(4) 0.02130 0.02080 0.02400 -0.01120 0.00980 0.00090 O(5) 0.01820 0.01280 0.00670 -0.00060 0.00040 0.00150 O(6) 0.01210 0.01780 0.01260 -0.00660 0.00110 0.00240 O(7) 0.01050 0.01320 0.01110 0.00470 0.00100 0.00110 O(8) 0.01440 0.01950 0.00890 -0.00250 0.00110 0.00010 O(9) 0.02030 0.01130 0.01080 0.00040 0.00240 0.00240 O(10) 0.01750 0.00920 0.01120 0.00260 0.00240 -0.00030 O(11) 0.01190 0.01960 0.02470 0.00090 0.00650 0.00110 O(12) 0.02720 0.01040 0.01760 -0.00260 0.00470 0.00360 O(13) 0.02730 0.01730 0.01330 0.00140 -0.00590 0.00080