data_global _journal_coden_Cambridge 1145 loop_ _publ_author_name 'Teh, Pei Fen' 'Sharma, Yogesh' 'Pramana, Stevin' 'Srinivasan, Madhavi' _publ_contact_author_name 'Teh, Pei Fen' _publ_contact_author_email madhavi@ntu.edu.sg _publ_section_title ; Nanoweb Anodes composed of One Dimensional, High aspect ratio, Size Tunable Electrospun ZnFe2O4 Nanofibers for Lithium Ion Batteries ; # Attachment '- ZnFe2O4.txt' data_24496-ICSD _database_code_depnum_ccdc_archive 'CCDC 826059' #TrackingRef '- ZnFe2O4.txt' # 2010 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of #Commerce on behalf of the United States. All rights reserved. _database_code_ICSD 24496 _audit_creation_date 1980/01/01 _chemical_name_systematic 'Zinc Diiron(III) Oxide' _chemical_formula_structural 'Zn Fe2 O4' _chemical_formula_sum 'Fe2 O4 Zn1' loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Gazzetta Chimica Italiana' 1930 60 389 399 GCITA9 _cell_length_a 8.350(5) _cell_length_b 8.350(5) _cell_length_c 8.350(5) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 582.18 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'F d -3 m S' _symmetry_Int_Tables_number 227 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'z+1/4, y+1/4, -x+1/4' 2 'y+1/4, x+1/4, -z+1/4' 3 'x+1/4, z+1/4, -y+1/4' 4 'z+1/4, x+1/4, -y+1/4' 5 'y+1/4, z+1/4, -x+1/4' 6 'x+1/4, y+1/4, -z+1/4' 7 'z+1/4, -y+1/4, x+1/4' 8 'y+1/4, -x+1/4, z+1/4' 9 'x+1/4, -z+1/4, y+1/4' 10 'z+1/4, -x+1/4, y+1/4' 11 'y+1/4, -z+1/4, x+1/4' 12 'x+1/4, -y+1/4, z+1/4' 13 '-z+1/4, y+1/4, x+1/4' 14 '-y+1/4, x+1/4, z+1/4' 15 '-x+1/4, z+1/4, y+1/4' 16 '-z+1/4, x+1/4, y+1/4' 17 '-y+1/4, z+1/4, x+1/4' 18 '-x+1/4, y+1/4, z+1/4' 19 '-z+1/4, -y+1/4, -x+1/4' 20 '-y+1/4, -x+1/4, -z+1/4' 21 '-x+1/4, -z+1/4, -y+1/4' 22 '-z+1/4, -x+1/4, -y+1/4' 23 '-y+1/4, -z+1/4, -x+1/4' 24 '-x+1/4, -y+1/4, -z+1/4' 25 '-z, -y, x' 26 '-y, -x, z' 27 '-x, -z, y' 28 '-z, -x, y' 29 '-y, -z, x' 30 '-x, -y, z' 31 '-z, y, -x' 32 '-y, x, -z' 33 '-x, z, -y' 34 '-z, x, -y' 35 '-y, z, -x' 36 '-x, y, -z' 37 'z, -y, -x' 38 'y, -x, -z' 39 'x, -z, -y' 40 'z, -x, -y' 41 'y, -z, -x' 42 'x, -y, -z' 43 'z, y, x' 44 'y, x, z' 45 'x, z, y' 46 'z, x, y' 47 'y, z, x' 48 'x, y, z' 49 'z+1/4, y+3/4, -x+3/4' 50 'z+3/4, y+1/4, -x+3/4' 51 'z+3/4, y+3/4, -x+1/4' 52 'y+1/4, x+3/4, -z+3/4' 53 'y+3/4, x+1/4, -z+3/4' 54 'y+3/4, x+3/4, -z+1/4' 55 'x+1/4, z+3/4, -y+3/4' 56 'x+3/4, z+1/4, -y+3/4' 57 'x+3/4, z+3/4, -y+1/4' 58 'z+1/4, x+3/4, -y+3/4' 59 'z+3/4, x+1/4, -y+3/4' 60 'z+3/4, x+3/4, -y+1/4' 61 'y+1/4, z+3/4, -x+3/4' 62 'y+3/4, z+1/4, -x+3/4' 63 'y+3/4, z+3/4, -x+1/4' 64 'x+1/4, y+3/4, -z+3/4' 65 'x+3/4, y+1/4, -z+3/4' 66 'x+3/4, y+3/4, -z+1/4' 67 'z+1/4, -y+3/4, x+3/4' 68 'z+3/4, -y+1/4, x+3/4' 69 'z+3/4, -y+3/4, x+1/4' 70 'y+1/4, -x+3/4, z+3/4' 71 'y+3/4, -x+1/4, z+3/4' 72 'y+3/4, -x+3/4, z+1/4' 73 'x+1/4, -z+3/4, y+3/4' 74 'x+3/4, -z+1/4, y+3/4' 75 'x+3/4, -z+3/4, y+1/4' 76 'z+1/4, -x+3/4, y+3/4' 77 'z+3/4, -x+1/4, y+3/4' 78 'z+3/4, -x+3/4, y+1/4' 79 'y+1/4, -z+3/4, x+3/4' 80 'y+3/4, -z+1/4, x+3/4' 81 'y+3/4, -z+3/4, x+1/4' 82 'x+1/4, -y+3/4, z+3/4' 83 'x+3/4, -y+1/4, z+3/4' 84 'x+3/4, -y+3/4, z+1/4' 85 '-z+1/4, y+3/4, x+3/4' 86 '-z+3/4, y+1/4, x+3/4' 87 '-z+3/4, y+3/4, x+1/4' 88 '-y+1/4, x+3/4, z+3/4' 89 '-y+3/4, x+1/4, z+3/4' 90 '-y+3/4, x+3/4, z+1/4' 91 '-x+1/4, z+3/4, y+3/4' 92 '-x+3/4, z+1/4, y+3/4' 93 '-x+3/4, z+3/4, y+1/4' 94 '-z+1/4, x+3/4, y+3/4' 95 '-z+3/4, x+1/4, y+3/4' 96 '-z+3/4, x+3/4, y+1/4' 97 '-y+1/4, z+3/4, x+3/4' 98 '-y+3/4, z+1/4, x+3/4' 99 '-y+3/4, z+3/4, x+1/4' 100 '-x+1/4, y+3/4, z+3/4' 101 '-x+3/4, y+1/4, z+3/4' 102 '-x+3/4, y+3/4, z+1/4' 103 '-z+1/4, -y+3/4, -x+3/4' 104 '-z+3/4, -y+1/4, -x+3/4' 105 '-z+3/4, -y+3/4, -x+1/4' 106 '-y+1/4, -x+3/4, -z+3/4' 107 '-y+3/4, -x+1/4, -z+3/4' 108 '-y+3/4, -x+3/4, -z+1/4' 109 '-x+1/4, -z+3/4, -y+3/4' 110 '-x+3/4, -z+1/4, -y+3/4' 111 '-x+3/4, -z+3/4, -y+1/4' 112 '-z+1/4, -x+3/4, -y+3/4' 113 '-z+3/4, -x+1/4, -y+3/4' 114 '-z+3/4, -x+3/4, -y+1/4' 115 '-y+1/4, -z+3/4, -x+3/4' 116 '-y+3/4, -z+1/4, -x+3/4' 117 '-y+3/4, -z+3/4, -x+1/4' 118 '-x+1/4, -y+3/4, -z+3/4' 119 '-x+3/4, -y+1/4, -z+3/4' 120 '-x+3/4, -y+3/4, -z+1/4' 121 '-z, -y+1/2, x+1/2' 122 '-z+1/2, -y, x+1/2' 123 '-z+1/2, -y+1/2, x' 124 '-y, -x+1/2, z+1/2' 125 '-y+1/2, -x, z+1/2' 126 '-y+1/2, -x+1/2, z' 127 '-x, -z+1/2, y+1/2' 128 '-x+1/2, -z, y+1/2' 129 '-x+1/2, -z+1/2, y' 130 '-z, -x+1/2, y+1/2' 131 '-z+1/2, -x, y+1/2' 132 '-z+1/2, -x+1/2, y' 133 '-y, -z+1/2, x+1/2' 134 '-y+1/2, -z, x+1/2' 135 '-y+1/2, -z+1/2, x' 136 '-x, -y+1/2, z+1/2' 137 '-x+1/2, -y, z+1/2' 138 '-x+1/2, -y+1/2, z' 139 '-z, y+1/2, -x+1/2' 140 '-z+1/2, y, -x+1/2' 141 '-z+1/2, y+1/2, -x' 142 '-y, x+1/2, -z+1/2' 143 '-y+1/2, x, -z+1/2' 144 '-y+1/2, x+1/2, -z' 145 '-x, z+1/2, -y+1/2' 146 '-x+1/2, z, -y+1/2' 147 '-x+1/2, z+1/2, -y' 148 '-z, x+1/2, -y+1/2' 149 '-z+1/2, x, -y+1/2' 150 '-z+1/2, x+1/2, -y' 151 '-y, z+1/2, -x+1/2' 152 '-y+1/2, z, -x+1/2' 153 '-y+1/2, z+1/2, -x' 154 '-x, y+1/2, -z+1/2' 155 '-x+1/2, y, -z+1/2' 156 '-x+1/2, y+1/2, -z' 157 'z, -y+1/2, -x+1/2' 158 'z+1/2, -y, -x+1/2' 159 'z+1/2, -y+1/2, -x' 160 'y, -x+1/2, -z+1/2' 161 'y+1/2, -x, -z+1/2' 162 'y+1/2, -x+1/2, -z' 163 'x, -z+1/2, -y+1/2' 164 'x+1/2, -z, -y+1/2' 165 'x+1/2, -z+1/2, -y' 166 'z, -x+1/2, -y+1/2' 167 'z+1/2, -x, -y+1/2' 168 'z+1/2, -x+1/2, -y' 169 'y, -z+1/2, -x+1/2' 170 'y+1/2, -z, -x+1/2' 171 'y+1/2, -z+1/2, -x' 172 'x, -y+1/2, -z+1/2' 173 'x+1/2, -y, -z+1/2' 174 'x+1/2, -y+1/2, -z' 175 'z, y+1/2, x+1/2' 176 'z+1/2, y, x+1/2' 177 'z+1/2, y+1/2, x' 178 'y, x+1/2, z+1/2' 179 'y+1/2, x, z+1/2' 180 'y+1/2, x+1/2, z' 181 'x, z+1/2, y+1/2' 182 'x+1/2, z, y+1/2' 183 'x+1/2, z+1/2, y' 184 'z, x+1/2, y+1/2' 185 'z+1/2, x, y+1/2' 186 'z+1/2, x+1/2, y' 187 'y, z+1/2, x+1/2' 188 'y+1/2, z, x+1/2' 189 'y+1/2, z+1/2, x' 190 'x, y+1/2, z+1/2' 191 'x+1/2, y, z+1/2' 192 'x+1/2, y+1/2, z' loop_ _atom_type_symbol _atom_type_oxidation_number Fe3+ 3 O2- -2 Zn2+ 2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens Zn1 Zn2+ 8 a 0 0 0 1. 0 Fe1 Fe3+ 16 d 0.625 0.625 0.625 1. 0 O1 O2- 32 e 0.375 0.375 0.375 1. 0 #End of data_24496-ICSD #TrackingRef '- ZnFe2O4.txt'