data_global _chemical_name_mineral 'Labuntsovite' loop_ _publ_author_name 'Cadoni M' 'Ferraris G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 19 _journal_year 2007 _journal_page_first 217 _journal_page_last 222 _publ_section_title ; Microporous titanosilicates - synthesis and structural characterization of a new orthorhombic-type labuntsovite ; _database_code_amcsd 0007215 _chemical_formula_sum 'Na1.33 Ti Si2 O9.57 H5.14' _cell_length_a 7.278 _cell_length_b 14.134 _cell_length_c 7.118 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 732.209 _exptl_crystal_density_diffrn 2.657 _symmetry_space_group_name_H-M 'C m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,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 Na1 0.28320 0.26590 0.00000 0.24000 0.02600 Na2 -0.20810 0.00000 0.50000 0.68000 0.05700 Na3 -0.44500 0.50000 0.00000 0.17000 0.00700 Ti1 0.25000 0.25000 0.50000 1.00000 0.02000 Si1 0.00000 0.38880 0.22500 1.00000 0.01200 O1 0.00000 0.38000 0.00000 1.00000 0.03700 O2 0.00000 0.50000 0.27630 1.00000 0.03900 O3 0.18370 0.34170 0.30410 1.00000 0.03400 O4 0.00000 0.20000 0.50000 1.00000 0.01700 Wat1 0.00000 0.00000 0.27100 0.87000 0.12800 Wat2 0.00000 0.12400 -0.17600 0.54000 0.02800 Wat3 0.06300 0.16110 0.00000 0.31000 0.03600