data_image0 _chemical_formula_structural Zr2Cl2Zr2Cl2Zr2Cl2Zr2Cl2Zr2Cl2Zr2Cl2Zr _chemical_formula_sum "Zr13 Cl12" _cell_length_a 5.946114785701415 _cell_length_b 5.946199618764508 _cell_length_c 29.988842428406887 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 119.99937916160259 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Zr Zr1 1.0 0.33110487377995584 0.33127743520144415 0.30442721761584807 1.0000 Zr Zr2 1.0 0.33340891991322447 0.6669361298238737 0.38392183051033596 1.0000 Cl Cl1 1.0 0.6659676967842171 0.6661145462631688 0.2466219997539564 1.0000 Cl Cl2 1.0 0.6567177162951443 0.6569190738136212 0.44507493851635993 1.0000 Zr Zr3 1.0 0.6666567524867708 0.3333969808211385 0.6160606460254577 1.0000 Zr Zr4 1.0 0.6689819259440825 0.6691408159858282 0.695555626389948 1.0000 Cl Cl3 1.0 0.3433457249278212 0.3434043376265421 0.5549063372395074 1.0000 Cl Cl4 1.0 0.33411973591784183 0.3343118617100319 0.7533604000866461 1.0000 Zr Zr5 1.0 0.6690049450624421 0.00023019943280676552 0.3044223871526401 1.0000 Zr Zr6 1.0 0.666750163423113 0.33358845533647763 0.3839218675241021 1.0000 Cl Cl5 1.0 7.166526204749782e-05 0.3343243739191986 0.24662209212164304 1.0000 Cl Cl6 1.0 7.4354284473749e-05 0.3435898389459425 0.44508598028967244 1.0000 Zr Zr7 1.0 2.2069491083615187e-05 5.701015681575274e-05 0.6135292949010778 1.0000 Zr Zr8 1.0 2.8811420594593756e-05 0.3312305429121672 0.6955558257974448 1.0000 Cl Cl7 1.0 0.6566917832061816 5.462406895111941e-05 0.5549110166465346 1.0000 Cl Cl8 1.0 0.665960028672545 0.00020971456636553754 0.7533618282844868 1.0000 Zr Zr9 1.0 5.7723519137827354e-05 0.6691902947120834 0.3044265817126769 1.0000 Zr Zr10 1.0 4.581811296276376e-05 0.00026741975172006605 0.3864537941958724 1.0000 Cl Cl9 1.0 0.33412997902196284 0.0002184551354014354 0.2466206609226862 1.0000 Cl Cl10 1.0 0.3433793092032036 0.00027383048896045814 0.44507083832475386 1.0000 Zr Zr11 1.0 0.33332246110183167 0.6667465017043069 0.6160605996748857 1.0000 Zr Zr12 1.0 0.3310820605109691 0.00018773255918613785 0.6955603718215311 1.0000 Cl Cl11 1.0 0.9999942129911217 0.6567352435978853 0.554898211217285 1.0000 Cl Cl12 1.0 1.7594154725371758e-05 0.6661020925129513 0.7533608812656057 1.0000 Zr Zr13 1.0 3.162857417383327e-05 0.00015099281786464078 0.49999071807442697 1.0000