data_global _chemical_name_mineral 'Natrotitanite' loop_ _publ_author_name 'Stepanov A V' 'Bekenova G K' 'Levin V L' 'Hawthorne F C' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 37 _journal_page_last 44 _publ_section_title ; Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure ; _database_code_amcsd 0018669 _chemical_compound_source 'Verkhnee Espe deposit, Kazakhstan' _chemical_formula_sum '(Na.39 Ca.32 Y.15 Dy.03 Yb.03 Er.03 Ce.01 Ho.01 Tm.01 Gd.01 Nd.01) (Ti.94 Nb.02 Sn.01 Fe.01 Mn.01 V.01) Si O4.83 F.17' _cell_length_a 6.5691 _cell_length_b 8.6869 _cell_length_c 7.0924 _cell_angle_alpha 90 _cell_angle_beta 114.1269 _cell_angle_gamma 90 _cell_volume 369.372 _exptl_crystal_density_diffrn 3.888 _symmetry_space_group_name_H-M 'C 1 2/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' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 0.00000 0.16960 0.75000 0.39000 0.01673 Ca 0.00000 0.16960 0.75000 0.32000 0.01673 Y 0.00000 0.16960 0.75000 0.15000 0.01673 Dy 0.00000 0.16960 0.75000 0.03000 0.01673 Yb 0.00000 0.16960 0.75000 0.03000 0.01673 Er 0.00000 0.16960 0.75000 0.03000 0.01673 Ce 0.00000 0.16960 0.75000 0.01000 0.01673 Ho 0.00000 0.16960 0.75000 0.01000 0.01673 Tm 0.00000 0.16960 0.75000 0.01000 0.01673 Gd 0.00000 0.16960 0.75000 0.01000 0.01673 Nd 0.00000 0.16960 0.75000 0.01000 0.01673 Ti 0.00000 0.50000 0.00000 0.94000 0.01164 Nb 0.00000 0.50000 0.00000 0.02000 0.01164 Sn 0.00000 0.50000 0.00000 0.01000 0.01164 Fe 0.00000 0.50000 0.00000 0.01000 0.01164 Mn 0.00000 0.50000 0.00000 0.01000 0.01164 V 0.00000 0.50000 0.00000 0.01000 0.01164 Si 0.00000 0.18221 0.25000 1.00000 0.00775 O1 0.00000 0.57186 0.25000 0.83000 0.01020 F1 0.00000 0.57186 0.25000 0.17000 0.01020 O2 0.18651 0.06603 0.40948 1.00000 0.01210 O3 0.10171 0.28936 0.11898 1.00000 0.01240 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 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Ca 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Y 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Dy 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Yb 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Er 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Ce 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Ho 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Tm 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Gd 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Nd 0.00850 0.00780 0.02670 0.00000 -0.00015 0.00000 Ti 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 Nb 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 Sn 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 Fe 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 Mn 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 V 0.00810 0.01000 0.01540 -0.00018 0.00331 0.00346 Si 0.00650 0.00750 0.00920 0.00000 0.00320 0.00000 O1 0.01350 0.00940 0.00830 0.00000 0.00490 0.00000 F1 0.01350 0.00940 0.00830 0.00000 0.00490 0.00000 O2 0.00820 0.01350 0.01310 0.00170 0.00260 0.00280 O3 0.01280 0.01000 0.01730 0.00150 0.00910 0.00370