# generated using pymatgen data_Ti17(NO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.39998400 _cell_length_b 10.71156844 _cell_length_c 10.73826102 _cell_angle_alpha 108.53637282 _cell_angle_beta 97.53295171 _cell_angle_gamma 95.30094079 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti17(NO4)6 _chemical_formula_sum 'Ti34 N12 O48' _cell_volume 1112.90094228 _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 Ti Ti0 1 0.64667900 0.57002900 0.07170700 1.0 Ti Ti1 1 0.45965500 0.64476800 0.57118400 1.0 Ti Ti2 1 0.45494100 0.51594900 0.25098400 1.0 Ti Ti3 1 0.14506500 0.57193200 0.07321700 1.0 Ti Ti4 1 0.54034500 0.35523200 0.42881600 1.0 Ti Ti5 1 0.95871200 0.51996700 0.25084900 1.0 Ti Ti6 1 0.54505900 0.48405100 0.74901600 1.0 Ti Ti7 1 0.78985700 0.30542400 0.55481300 1.0 Ti Ti8 1 0.96842700 0.64947500 0.57698900 1.0 Ti Ti9 1 0.48062700 0.23523900 0.07016800 1.0 Ti Ti10 1 0.03157300 0.35052500 0.42301100 1.0 Ti Ti11 1 0.35332100 0.42997100 0.92829300 1.0 Ti Ti12 1 0.97631400 0.23403100 0.07678100 1.0 Ti Ti13 1 0.04128800 0.48003300 0.74915100 1.0 Ti Ti14 1 0.29249200 0.31198800 0.57075600 1.0 Ti Ti15 1 0.28762200 0.18354100 0.24888100 1.0 Ti Ti16 1 0.81373500 0.90979800 0.07741500 1.0 Ti Ti17 1 0.68771100 0.10154500 0.94336900 1.0 Ti Ti18 1 0.85493500 0.42806800 0.92678300 1.0 Ti Ti19 1 0.37111200 0.02238500 0.42559700 1.0 Ti Ti20 1 0.31228900 0.89845500 0.05663100 1.0 Ti Ti21 1 0.62888800 0.97761500 0.57440300 1.0 Ti Ti22 1 0.37687400 0.14978200 0.74979600 1.0 Ti Ti23 1 0.62312600 0.85021800 0.25020400 1.0 Ti Ti24 1 0.70750800 0.68801200 0.42924400 1.0 Ti Ti25 1 0.18626500 0.09020200 0.92258500 1.0 Ti Ti26 1 0.71237800 0.81645900 0.75111900 1.0 Ti Ti27 1 0.87160400 0.02483500 0.42294800 1.0 Ti Ti28 1 0.87819400 0.14681400 0.74993200 1.0 Ti Ti29 1 0.12839600 0.97516500 0.57705200 1.0 Ti Ti30 1 0.12180600 0.85318600 0.25006800 1.0 Ti Ti31 1 0.51937300 0.76476100 0.92983200 1.0 Ti Ti32 1 0.21014300 0.69457600 0.44518700 1.0 Ti Ti33 1 0.02368600 0.76596900 0.92321900 1.0 N N34 1 0.60081600 0.65962500 0.25020400 1.0 N N35 1 0.10105100 0.66022500 0.24926400 1.0 N N36 1 0.42974200 0.32703500 0.24973000 1.0 N N37 1 0.39918400 0.34037500 0.74979600 1.0 N N38 1 0.94798000 0.33726400 0.25041900 1.0 N N39 1 0.76863500 0.97918900 0.25033500 1.0 N N40 1 0.89894900 0.33977500 0.75073600 1.0 N N41 1 0.73562100 0.00726300 0.75062600 1.0 N N42 1 0.26437900 0.99273700 0.24937400 1.0 N N43 1 0.23136500 0.02081100 0.74966500 1.0 N N44 1 0.57025800 0.67296500 0.75027000 1.0 N N45 1 0.05202000 0.66273600 0.74958100 1.0 O O46 1 0.80959000 0.52388000 0.11884300 1.0 O O47 1 0.35351100 0.60907600 0.37710900 1.0 O O48 1 0.52077600 0.41815500 0.06409000 1.0 O O49 1 0.30940800 0.52277700 0.11749400 1.0 O O50 1 0.58411800 0.54074600 0.43454500 1.0 O O51 1 0.41588200 0.45925400 0.56545500 1.0 O O52 1 0.85133500 0.60856200 0.37930800 1.0 O O53 1 0.68449000 0.28223700 0.39029700 1.0 O O54 1 0.69059200 0.47722300 0.88250600 1.0 O O55 1 0.64648900 0.39092400 0.62289100 1.0 O O56 1 0.47922400 0.58184500 0.93591000 1.0 O O57 1 0.08170200 0.54434500 0.43816100 1.0 O O58 1 0.01934800 0.41901900 0.06327400 1.0 O O59 1 0.63783600 0.18928700 0.10927300 1.0 O O60 1 0.81338700 0.24973200 0.93674600 1.0 O O61 1 0.75130700 0.12553500 0.56419800 1.0 O O62 1 0.41570600 0.20734100 0.43507400 1.0 O O63 1 0.35264400 0.08296000 0.06231600 1.0 O O64 1 0.91829800 0.45565500 0.56183900 1.0 O O65 1 0.14347000 0.19254500 0.12074200 1.0 O O66 1 0.19041000 0.47612000 0.88115700 1.0 O O67 1 0.98065200 0.58098100 0.93672600 1.0 O O68 1 0.18642700 0.27680200 0.38262600 1.0 O O69 1 0.14866500 0.39143800 0.62069200 1.0 O O70 1 0.52206600 0.14182700 0.87731800 1.0 O O71 1 0.25214600 0.12524500 0.56211500 1.0 O O72 1 0.31250800 0.25048300 0.93500900 1.0 O O73 1 0.47988900 0.05484600 0.61800200 1.0 O O74 1 0.74785400 0.87475500 0.43788500 1.0 O O75 1 0.68749200 0.74951700 0.06499100 1.0 O O76 1 0.52011100 0.94515400 0.38199800 1.0 O O77 1 0.47793400 0.85817300 0.12268200 1.0 O O78 1 0.86143600 0.07617400 0.05098700 1.0 O O79 1 0.92715200 0.20842400 0.44967800 1.0 O O80 1 0.64735600 0.91704000 0.93768400 1.0 O O81 1 0.24869300 0.87446500 0.43580200 1.0 O O82 1 0.02115900 0.94715100 0.37977100 1.0 O O83 1 0.02446300 0.14504100 0.88084900 1.0 O O84 1 0.81357300 0.72319800 0.61737400 1.0 O O85 1 0.58429400 0.79265900 0.56492600 1.0 O O86 1 0.97553700 0.85495900 0.11915100 1.0 O O87 1 0.18661300 0.75026800 0.06325400 1.0 O O88 1 0.97884100 0.05284900 0.62022900 1.0 O O89 1 0.13856400 0.92382600 0.94901300 1.0 O O90 1 0.31551000 0.71776300 0.60970300 1.0 O O91 1 0.36216400 0.81071300 0.89072700 1.0 O O92 1 0.07284800 0.79157600 0.55032200 1.0 O O93 1 0.85653000 0.80745500 0.87925800 1.0