data_global _chemical_name_mineral 'Eliseevite' loop_ _publ_author_name 'Yakovenchuk V N' 'Ivanyuk G Y' 'Krivovichev S V' 'Pakhomovsky Y A' 'Selivanova E A' 'Korchak J A' 'Men'shikov Y P' 'Drogobuzhskaya S V' 'Zalkind O A' _journal_name_full 'American Mineralogist' _journal_volume 96 _journal_year 2011 _journal_page_first 1624 _journal_page_last 1629 _publ_section_title ; Eliseevite, Na1.5Li[Ti2Si4O12.5(OH)1.5]*2H2O, a new microporous titanosilicate from the Lovozero alkaline massif (Kola Peninsula, Russia) Note y-coordinate for O3 changed from .218 to reproduce reported bond lengths ; _database_code_amcsd 0018483 _chemical_compound_source 'the Lovozero alkaline massif, Kola Peninsula, Russia' _chemical_formula_sum 'Na1.5 Li Ti2 Si4 O16 H5.5' _cell_length_a 27.483 _cell_length_b 8.669 _cell_length_c 5.246 _cell_angle_alpha 90 _cell_angle_beta 90.782 _cell_angle_gamma 90 _cell_volume 1249.744 _exptl_crystal_density_diffrn 2.716 _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 0.16550 0.19720 -0.37970 0.75000 0.02520 Li 0.00000 0.36750 0.25000 1.00000 0.00900 Ti 0.16410 0.40570 0.12560 1.00000 0.01400 Si1 0.26590 0.58970 0.29010 1.00000 0.01240 Si2 0.09100 0.09900 0.03070 1.00000 0.02590 O1 0.20700 0.57730 0.28900 1.00000 0.01480 O2 0.28730 0.76020 0.26630 1.00000 0.01700 O3 0.10490 0.02180 0.30220 1.00000 0.04800 O4 0.13310 0.43400 0.42350 1.00000 0.01650 O5 0.28730 0.49200 0.04900 1.00000 0.01480 O6 0.12190 0.25140 -0.00830 1.00000 0.02100 O-H7 0.03290 0.13100 0.01420 0.75000 0.04100 O7 0.03290 0.13100 0.01420 0.25000 0.04100 Wat8 -0.03760 0.38540 -0.04900 1.00000 0.14400 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 0.03400 0.02040 0.02110 0.00380 0.00620 -0.00320 Li 0.00200 0.00700 0.01900 0.00000 0.00500 0.00000 Ti 0.01770 0.01290 0.01130 0.00020 -0.00010 0.00070 Si1 0.01720 0.01140 0.00870 0.00010 -0.00030 -0.00010 Si2 0.02340 0.01970 0.03470 -0.00120 -0.00060 0.00060 O1 0.02000 0.01500 0.00960 -0.00130 -0.00040 0.00020 O2 0.02400 0.01400 0.01300 -0.00290 -0.00390 -0.00110 O3 0.03600 0.04400 0.06500 0.00100 -0.00700 0.03400 O4 0.01900 0.02000 0.01000 -0.00220 0.00240 -0.00190 O5 0.01600 0.01900 0.00960 -0.00120 0.00050 -0.00350 O6 0.03000 0.01900 0.01500 -0.00550 0.00080 -0.00120 O-H7 0.02800 0.05500 0.04100 0.01300 0.00000 0.01000 O7 0.02800 0.05500 0.04100 0.01300 0.00000 0.01000 Wat8 0.10600 0.10500 0.22200 -0.02700 0.10500 -0.04500