data_global _chemical_name_mineral 'Innelite' loop_ _publ_author_name 'Sokolova E' 'Camara F' 'Hawthorne F C' _journal_name_full 'Mineralogical Magazine' _journal_volume 75 _journal_year 2011 _journal_page_first 2495 _journal_page_last 2518 _publ_section_title ; From structure topology to chemical composition. XI. Titanium silicates: crystal structures of innelite-1T and innelite-2M from the Inagli massif, Yakutia, Russia, and the crystal chemistry of innelite Note: this is the polytype innelite-1T ; _database_code_amcsd 0018495 _chemical_compound_source 'Inagli massif, Yakutia, Russia' _chemical_formula_sum '(Ba3.92 Sr.08) Ti2.96 Nb.02 Al.02 Na2.16 Mn.38 Fe.18 Mg.14 Ca.1 Si4 S1.02 P.82 O26' _cell_length_a 5.4234 _cell_length_b 7.131 _cell_length_c 14.785 _cell_angle_alpha 98.442 _cell_angle_beta 94.579 _cell_angle_gamma 90.009 _cell_volume 563.757 _exptl_crystal_density_diffrn 4.017 _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 BaAP 0.28870 0.41429 0.68274 0.98000 0.02090 SrAP 0.28870 0.41429 0.68274 0.02000 0.02090 BaBP 0.77374 0.87957 0.60954 0.98000 0.00960 SrBP 0.77374 0.87957 0.60954 0.02000 0.00960 TiMH 0.68570 0.05890 0.20050 0.98000 0.00450 NbMH 0.68570 0.05890 0.20050 0.01000 0.00450 AlMH 0.68570 0.05890 0.20050 0.01000 0.00450 TiMO1 0.00000 0.50000 0.00000 1.00000 0.02320 NaMO2 0.00000 0.00000 0.00000 1.00000 0.01500 NaMO3 0.49880 0.74020 0.99930 0.58000 0.02470 MnMO3 0.49880 0.74020 0.99930 0.19000 0.02470 FeMO3 0.49880 0.74020 0.99930 0.09000 0.02470 MgMO3 0.49880 0.74020 0.99930 0.07000 0.02470 CaMO3 0.49880 0.74020 0.99930 0.05000 0.02470 Si1 0.81630 0.23140 0.80970 1.00000 0.00100 Si2 0.81730 0.65760 0.81080 1.00000 0.00280 ST 0.75510 0.29810 0.52310 0.51000 0.01750 PT 0.75510 0.29810 0.52310 0.41000 0.01750 O1 0.83800 0.27120 0.92050 1.00000 0.00400 O2 0.56200 0.12070 0.76730 1.00000 0.00700 O3 0.05400 0.11800 0.76580 1.00000 0.00600 O4 0.80600 0.43130 0.76830 1.00000 0.00500 O5 0.56000 0.74140 0.76900 1.00000 0.00400 O6 0.05500 0.73930 0.76740 1.00000 0.00500 O7 0.83900 0.68040 0.92100 1.00000 0.01000 O8 0.66200 0.02200 0.08520 1.00000 0.01600 O9 0.28600 0.47900 0.92400 1.00000 0.02600 O10 0.98600 0.19700 0.55390 1.00000 0.02400 O11 0.53700 0.19300 0.55290 1.00000 0.02300 O12 0.72900 0.26500 0.41400 1.00000 0.04400 O13 0.77000 0.49700 0.56830 1.00000 0.03900