data_global _chemical_name_mineral 'Murmanite' 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 0018519 _chemical_compound_source 'Yubileynaya pegmatite vein, Karnasut Mountain, Lovozero alkaline massif' _chemical_formula_sum 'Na1.645 Ca.105 K.025 Mn.165 Ti1.605 Nb.255 Fe.075 Mg.035 Zr.005 Si2 O11 H4' _cell_length_a 5.3875 _cell_length_b 7.0579 _cell_length_c 12.176 _cell_angle_alpha 93.511 _cell_angle_beta 107.943 _cell_angle_gamma 90.093 _cell_volume 439.538 _exptl_crystal_density_diffrn 2.979 _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) 0.38430 0.82780 0.19944 0.89000 0.02550 Ca(1) 0.38430 0.82780 0.19944 0.07500 0.02550 K(1) 0.38430 0.82780 0.19944 0.02500 0.02550 Na(2) 0.73740 0.61170 0.49032 0.75500 0.02770 Mn(2) 0.73740 0.61170 0.49032 0.07000 0.02770 Ca(2) 0.73740 0.61170 0.49032 0.03000 0.02770 Ti(1) 0.41614 0.32516 0.24050 0.83500 0.01360 Nb(1) 0.41614 0.32516 0.24050 0.11000 0.01360 Fe3+(1) 0.41614 0.32516 0.24050 0.05500 0.01360 Ti(2) 0.27783 0.88695 0.50472 0.70000 0.01970 Nb(2) 0.27783 0.88695 0.50472 0.14500 0.01970 Mn(2) 0.27783 0.88695 0.50472 0.09500 0.01970 Mg(2) 0.27783 0.88695 0.50472 0.03500 0.01970 Fe3+(2) 0.27783 0.88695 0.50472 0.02000 0.01970 Zr(2) 0.27783 0.88695 0.50472 0.00500 0.01970 Si(1) 0.92177 0.05009 0.25961 1.00000 0.01380 Si(2) 0.94748 0.62237 0.27519 1.00000 0.01520 O(1) 0.13670 0.13650 0.21050 1.00000 0.03820 O(2) 0.63680 0.13090 0.20230 1.00000 0.03770 O(3) 0.00140 0.93270 0.59870 1.00000 0.01710 O(4) 0.89930 0.82480 0.21630 1.00000 0.02640 O(5) 0.67010 0.51780 0.23950 1.00000 0.04110 O(6) 0.06150 0.66590 0.41450 1.00000 0.02120 O(7) 0.16330 0.52000 0.22940 1.00000 0.03950 O(8) 0.53060 0.30050 0.39400 1.00000 0.02040 O(9) 0.50330 0.89390 0.41310 1.00000 0.01780 Ow(10) 0.28150 0.33730 0.04360 1.00000 0.03750 Ow(11) 0.25280 0.72550 0.00600 1.00000 0.03590 H(1) 0.30500 0.27700 -0.02000 1.00000 0.04504 H(2) 0.15200 0.42300 0.02600 1.00000 0.04504 H(3) 0.24400 0.59880 -0.01300 1.00000 0.04305 H(4) 0.29000 0.79000 -0.04700 1.00000 0.04305 Ti(1A) 0.38900 0.32510 0.20360 0.02000 0.01360 Ti(1B) 0.45500 0.32500 0.29400 0.05000 0.01360 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) 0.02310 0.02260 0.03160 0.00110 0.00950 0.00100 Ca(1) 0.02310 0.02260 0.03160 0.00110 0.00950 0.00100 K(1) 0.02310 0.02260 0.03160 0.00110 0.00950 0.00100 Na(2) 0.02450 0.02110 0.04530 0.00800 0.02050 0.01080 Mn(2) 0.02450 0.02110 0.04530 0.00800 0.02050 0.01080 Ca(2) 0.02450 0.02110 0.04530 0.00800 0.02050 0.01080 Ti(1) 0.00950 0.01400 0.01820 0.00070 0.00520 0.00270 Nb(1) 0.00950 0.01400 0.01820 0.00070 0.00520 0.00270 Fe3+(1) 0.00950 0.01400 0.01820 0.00070 0.00520 0.00270 Ti(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Nb(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Mn(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Mg(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Fe3+(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Zr(2) 0.01890 0.01570 0.02520 0.00195 0.00730 0.00300 Si(1) 0.01150 0.01080 0.01990 0.00000 0.00550 0.00250 Si(2) 0.01350 0.01060 0.02220 0.00080 0.00620 0.00280 O(1) 0.04210 0.05000 0.02490 -0.03150 0.01500 -0.00310 O(2) 0.03010 0.04900 0.02670 0.02740 -0.00120 -0.00430 O(3) 0.01440 0.01720 0.02140 0.00100 0.00750 0.00250 O(4) 0.03970 0.01190 0.02600 0.00150 0.00770 0.00080 O(5) 0.03860 0.04800 0.03670 -0.03310 0.01320 -0.00060 O(6) 0.02080 0.01810 0.02420 0.00230 0.00610 0.00270 O(7) 0.03540 0.04400 0.03650 0.02780 0.00780 -0.00350 O(8) 0.01630 0.02250 0.02280 -0.00030 0.00600 0.00410 O(9) 0.01520 0.01610 0.02260 0.00070 0.00610 0.00230 Ow(10) 0.04900 0.03240 0.03020 0.00690 0.00960 0.00580 Ow(11) 0.03650 0.03800 0.03430 0.00120 0.01150 0.00870 Ti(1A) 0.00900 0.01400 0.01820 0.00070 0.00520 0.00270 Ti(1B) 0.00900 0.01400 0.01820 0.00070 0.00520 0.00270