# generated using pymatgen data_LiTi11O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26148500 _cell_length_b 7.69494626 _cell_length_c 13.24645331 _cell_angle_alpha 90.42437985 _cell_angle_beta 92.73453623 _cell_angle_gamma 104.09049257 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTi11O20 _chemical_formula_sum 'Li2 Ti22 O40' _cell_volume 716.94300811 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.39325200 0.94915200 0.77837100 1.0 Li Li1 1 0.60674800 0.05084800 0.22162900 1.0 Ti Ti2 1 0.01268600 0.92868000 0.20115400 1.0 Ti Ti3 1 0.03716900 0.43545800 0.70901100 1.0 Ti Ti4 1 0.00362400 0.29840300 0.12668100 1.0 Ti Ti5 1 0.00695000 0.20701200 0.36931200 1.0 Ti Ti6 1 0.32036100 0.94262300 0.42612900 1.0 Ti Ti7 1 0.31194000 0.71375400 0.08088800 1.0 Ti Ti8 1 0.32536300 0.57402400 0.51380400 1.0 Ti Ti9 1 0.33635100 0.43384100 0.92703600 1.0 Ti Ti10 1 0.35657100 0.63181400 0.28807900 1.0 Ti Ti11 1 0.30291600 0.20372900 0.58632400 1.0 Ti Ti12 1 0.32085500 0.08280000 0.00712800 1.0 Ti Ti13 1 0.67914500 0.91720000 0.99287200 1.0 Ti Ti14 1 0.69708400 0.79627100 0.41367600 1.0 Ti Ti15 1 0.64342900 0.36818600 0.71192100 1.0 Ti Ti16 1 0.66364900 0.56615900 0.07296400 1.0 Ti Ti17 1 0.67463700 0.42597600 0.48619600 1.0 Ti Ti18 1 0.68806000 0.28624600 0.91911200 1.0 Ti Ti19 1 0.67963900 0.05737700 0.57387100 1.0 Ti Ti20 1 0.99305000 0.79298800 0.63068800 1.0 Ti Ti21 1 0.99637600 0.70159700 0.87331900 1.0 Ti Ti22 1 0.96283100 0.56454200 0.29098900 1.0 Ti Ti23 1 0.98731400 0.07132000 0.79884600 1.0 O O24 1 0.11995800 0.88344000 0.76627900 1.0 O O25 1 0.17200000 0.82394300 0.97675200 1.0 O O26 1 0.17133800 0.95432700 0.54910200 1.0 O O27 1 0.16303400 0.73972000 0.20152200 1.0 O O28 1 0.16111700 0.54092100 0.83490200 1.0 O O29 1 0.16507600 0.61715800 0.62053300 1.0 O O30 1 0.18569900 0.67870300 0.40396600 1.0 O O31 1 0.14334400 0.40417200 0.26799300 1.0 O O32 1 0.15170200 0.23653200 0.69510100 1.0 O O33 1 0.17393700 0.17897700 0.90178400 1.0 O O34 1 0.18006700 0.32733100 0.47797600 1.0 O O35 1 0.17558300 0.46270000 0.04671100 1.0 O O36 1 0.16373100 0.03831400 0.33582100 1.0 O O37 1 0.16199900 0.11310600 0.11883700 1.0 O O38 1 0.48461100 0.95355900 0.09450800 1.0 O O39 1 0.49675200 0.67971600 0.97035000 1.0 O O40 1 0.49897400 0.88255400 0.32852600 1.0 O O41 1 0.50333400 0.82665200 0.52483900 1.0 O O42 1 0.49013000 0.45362400 0.60352000 1.0 O O43 1 0.49122400 0.60416700 0.17290700 1.0 O O44 1 0.50877600 0.39583300 0.82709300 1.0 O O45 1 0.50987000 0.54637600 0.39648000 1.0 O O46 1 0.49666600 0.17334800 0.47516100 1.0 O O47 1 0.50102600 0.11744600 0.67147400 1.0 O O48 1 0.50324800 0.32028400 0.02965000 1.0 O O49 1 0.51538900 0.04644100 0.90549200 1.0 O O50 1 0.83800100 0.88689400 0.88116300 1.0 O O51 1 0.83626900 0.96168600 0.66417900 1.0 O O52 1 0.82441700 0.53730000 0.95328900 1.0 O O53 1 0.81993300 0.67266900 0.52202400 1.0 O O54 1 0.82606300 0.82102300 0.09821600 1.0 O O55 1 0.84829800 0.76346800 0.30489900 1.0 O O56 1 0.85665600 0.59582800 0.73200700 1.0 O O57 1 0.81430100 0.32129700 0.59603400 1.0 O O58 1 0.83492400 0.38284200 0.37946700 1.0 O O59 1 0.83888300 0.45907900 0.16509800 1.0 O O60 1 0.83696600 0.26028000 0.79847800 1.0 O O61 1 0.82866200 0.04567300 0.45089800 1.0 O O62 1 0.82800000 0.17605700 0.02324800 1.0 O O63 1 0.88004200 0.11656000 0.23372100 1.0