#------------------------------------------------------------------------------ #$Date: 2022-09-12 10:03:33 +0100 (Mon, 12 Sep 2022) $ #$Revision: 277769 $ #$URL: svn://www.crystallography.net/cod/cif/3/50/01/3500127.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3500127 loop_ _publ_author_name 'Taju Ahmed' _publ_section_title ; Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic properties (Co0.8 Zn0.2 Fe2-x Lax O4) ; _journal_name_full 'Personal communication to COD' _journal_year 2022 _chemical_formula_sum 'Co0.8 Fe2 O4 Zn0.2' _chemical_name_common '(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4' _chemical_name_mineral 'Cobalt Zinc Ferrite' _chemical_name_systematic '(Zn0.2 Fe0.8) [Co0.8 Fe1.2] O4' _space_group_IT_number 227 _space_group_name_Hall 'F 4d 2 3 -1d' _space_group_name_H-M_alt 'F d -3 m :1' _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'F d -3 m :1' _audit_creation_date 'Sun Sep 11 20:03:18 EAT 2022' _audit_creation_method 'Maud, version 2.992' _audit_update_record 'Sun Sep 11 20:07:30 EAT 2022' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.3877 _cell_length_b 8.3877 _cell_length_c 8.3877 _cell_volume 590.104 _computing_structure_refinement 'Maud, version 2.992' _refine_ls_d_res_high 5000 _refine_ls_d_res_low 0 _refine_ls_goodness_of_fit_all 0.14928363 _refine_ls_R_factor_all 0.0070647798 _refine_ls_wR_factor_all 0.009149176 _reflns_d_resolution_high 50 _reflns_d_resolution_low 0.7 _cod_data_source_file Co0.8Zn0.2Fe2O4byTajuAhmedfromWallagaUniversity251913826800.cif _cod_data_source_block (Zn0.2Fe0.8)[Co0.8La0.1Fe1.1]O4 _cod_depositor_comments 'By Taju Ahmed from Wallaga University +251913826800' _cod_original_sg_symbol_H-M Fd-3m:1 _cod_original_formula_sum 'Co0.8 Zn0.2 Fe2 O4' _cod_database_code 3500127 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 0 'x, y, z' 1 '-x+0.25, -y+0.25, -z+0.25' 2 '-y+0.25, x+0.25, z+0.25' 3 '-x, -y, z' 4 'y+0.25, -x+0.25, z+0.25' 5 'x+0.25, -z+0.25, y+0.25' 6 'x, -y, -z' 7 'x+0.25, z+0.25, -y+0.25' 8 'z+0.25, y+0.25, -x+0.25' 9 '-x, y, -z' 10 '-z+0.25, y+0.25, x+0.25' 11 'y, -x, -z' 12 '-y, x, -z' 13 '-x, z, -y' 14 '-x, -z, y' 15 '-z, -y, x' 16 'z, -y, -x' 17 'z, x, y' 18 'y, z, x' 19 '-y, -z, x' 20 'z, -x, -y' 21 '-y, z, -x' 22 '-z, -x, y' 23 '-z, x, -y' 24 'y, -z, -x' 25 '-z+0.25, -x+0.25, -y+0.25' 26 '-y+0.25, -z+0.25, -x+0.25' 27 'y+0.25, z+0.25, -x+0.25' 28 '-z+0.25, x+0.25, y+0.25' 29 'y+0.25, -z+0.25, x+0.25' 30 'z+0.25, x+0.25, -y+0.25' 31 'z+0.25, -x+0.25, y+0.25' 32 '-y+0.25, z+0.25, x+0.25' 33 'y+0.25, x+0.25, -z+0.25' 34 '-y+0.25, -x+0.25, -z+0.25' 35 '-x+0.25, z+0.25, y+0.25' 36 '-x+0.25, -z+0.25, -y+0.25' 37 'z+0.25, -y+0.25, x+0.25' 38 '-z+0.25, -y+0.25, -x+0.25' 39 'x+0.25, y+0.25, -z+0.25' 40 '-x+0.25, y+0.25, z+0.25' 41 'x+0.25, -y+0.25, z+0.25' 42 '-y, -x, z' 43 'y, x, z' 44 'x, -z, -y' 45 'x, z, y' 46 '-z, y, -x' 47 'z, y, x' 48 'x, y+0.5, z+0.5' 49 '-x+0.25, -y+0.75, -z+0.75' 50 '-y+0.25, x+0.75, z+0.75' 51 '-x, -y+0.5, z+0.5' 52 'y+0.25, -x+0.75, z+0.75' 53 'x+0.25, -z+0.75, y+0.75' 54 'x, -y+0.5, -z+0.5' 55 'x+0.25, z+0.75, -y+0.75' 56 'z+0.25, y+0.75, -x+0.75' 57 '-x, y+0.5, -z+0.5' 58 '-z+0.25, y+0.75, x+0.75' 59 'y, -x+0.5, -z+0.5' 60 '-y, x+0.5, -z+0.5' 61 '-x, z+0.5, -y+0.5' 62 '-x, -z+0.5, y+0.5' 63 '-z, -y+0.5, x+0.5' 64 'z, -y+0.5, -x+0.5' 65 'z, x+0.5, y+0.5' 66 'y, z+0.5, x+0.5' 67 '-y, -z+0.5, x+0.5' 68 'z, -x+0.5, -y+0.5' 69 '-y, z+0.5, -x+0.5' 70 '-z, -x+0.5, y+0.5' 71 '-z, x+0.5, -y+0.5' 72 'y, -z+0.5, -x+0.5' 73 '-z+0.25, -x+0.75, -y+0.75' 74 '-y+0.25, -z+0.75, -x+0.75' 75 'y+0.25, z+0.75, -x+0.75' 76 '-z+0.25, x+0.75, y+0.75' 77 'y+0.25, -z+0.75, x+0.75' 78 'z+0.25, x+0.75, -y+0.75' 79 'z+0.25, -x+0.75, y+0.75' 80 '-y+0.25, z+0.75, x+0.75' 81 'y+0.25, x+0.75, -z+0.75' 82 '-y+0.25, -x+0.75, -z+0.75' 83 '-x+0.25, z+0.75, y+0.75' 84 '-x+0.25, -z+0.75, -y+0.75' 85 'z+0.25, -y+0.75, x+0.75' 86 '-z+0.25, -y+0.75, -x+0.75' 87 'x+0.25, y+0.75, -z+0.75' 88 '-x+0.25, y+0.75, z+0.75' 89 'x+0.25, -y+0.75, z+0.75' 90 '-y, -x+0.5, z+0.5' 91 'y, x+0.5, z+0.5' 92 'x, -z+0.5, -y+0.5' 93 'x, z+0.5, y+0.5' 94 '-z, y+0.5, -x+0.5' 95 'z, y+0.5, x+0.5' 96 'x+0.5, y, z+0.5' 97 '-x+0.75, -y+0.25, -z+0.75' 98 '-y+0.75, x+0.25, z+0.75' 99 '-x+0.5, -y, z+0.5' 100 'y+0.75, -x+0.25, z+0.75' 101 'x+0.75, -z+0.25, y+0.75' 102 'x+0.5, -y, -z+0.5' 103 'x+0.75, z+0.25, -y+0.75' 104 'z+0.75, y+0.25, -x+0.75' 105 '-x+0.5, y, -z+0.5' 106 '-z+0.75, y+0.25, x+0.75' 107 'y+0.5, -x, -z+0.5' 108 '-y+0.5, x, -z+0.5' 109 '-x+0.5, z, -y+0.5' 110 '-x+0.5, -z, y+0.5' 111 '-z+0.5, -y, x+0.5' 112 'z+0.5, -y, -x+0.5' 113 'z+0.5, x, y+0.5' 114 'y+0.5, z, x+0.5' 115 '-y+0.5, -z, x+0.5' 116 'z+0.5, -x, -y+0.5' 117 '-y+0.5, z, -x+0.5' 118 '-z+0.5, -x, y+0.5' 119 '-z+0.5, x, -y+0.5' 120 'y+0.5, -z, -x+0.5' 121 '-z+0.75, -x+0.25, -y+0.75' 122 '-y+0.75, -z+0.25, -x+0.75' 123 'y+0.75, z+0.25, -x+0.75' 124 '-z+0.75, x+0.25, y+0.75' 125 'y+0.75, -z+0.25, x+0.75' 126 'z+0.75, x+0.25, -y+0.75' 127 'z+0.75, -x+0.25, y+0.75' 128 '-y+0.75, z+0.25, x+0.75' 129 'y+0.75, x+0.25, -z+0.75' 130 '-y+0.75, -x+0.25, -z+0.75' 131 '-x+0.75, z+0.25, y+0.75' 132 '-x+0.75, -z+0.25, -y+0.75' 133 'z+0.75, -y+0.25, x+0.75' 134 '-z+0.75, -y+0.25, -x+0.75' 135 'x+0.75, y+0.25, -z+0.75' 136 '-x+0.75, y+0.25, z+0.75' 137 'x+0.75, -y+0.25, z+0.75' 138 '-y+0.5, -x, z+0.5' 139 'y+0.5, x, z+0.5' 140 'x+0.5, -z, -y+0.5' 141 'x+0.5, z, y+0.5' 142 '-z+0.5, y, -x+0.5' 143 'z+0.5, y, x+0.5' 144 'x+0.5, y+0.5, z' 145 '-x+0.75, -y+0.75, -z+0.25' 146 '-y+0.75, x+0.75, z+0.25' 147 '-x+0.5, -y+0.5, z' 148 'y+0.75, -x+0.75, z+0.25' 149 'x+0.75, -z+0.75, y+0.25' 150 'x+0.5, -y+0.5, -z' 151 'x+0.75, z+0.75, -y+0.25' 152 'z+0.75, y+0.75, -x+0.25' 153 '-x+0.5, y+0.5, -z' 154 '-z+0.75, y+0.75, x+0.25' 155 'y+0.5, -x+0.5, -z' 156 '-y+0.5, x+0.5, -z' 157 '-x+0.5, z+0.5, -y' 158 '-x+0.5, -z+0.5, y' 159 '-z+0.5, -y+0.5, x' 160 'z+0.5, -y+0.5, -x' 161 'z+0.5, x+0.5, y' 162 'y+0.5, z+0.5, x' 163 '-y+0.5, -z+0.5, x' 164 'z+0.5, -x+0.5, -y' 165 '-y+0.5, z+0.5, -x' 166 '-z+0.5, -x+0.5, y' 167 '-z+0.5, x+0.5, -y' 168 'y+0.5, -z+0.5, -x' 169 '-z+0.75, -x+0.75, -y+0.25' 170 '-y+0.75, -z+0.75, -x+0.25' 171 'y+0.75, z+0.75, -x+0.25' 172 '-z+0.75, x+0.75, y+0.25' 173 'y+0.75, -z+0.75, x+0.25' 174 'z+0.75, x+0.75, -y+0.25' 175 'z+0.75, -x+0.75, y+0.25' 176 '-y+0.75, z+0.75, x+0.25' 177 'y+0.75, x+0.75, -z+0.25' 178 '-y+0.75, -x+0.75, -z+0.25' 179 '-x+0.75, z+0.75, y+0.25' 180 '-x+0.75, -z+0.75, -y+0.25' 181 'z+0.75, -y+0.75, x+0.25' 182 '-z+0.75, -y+0.75, -x+0.25' 183 'x+0.75, y+0.75, -z+0.25' 184 '-x+0.75, y+0.75, z+0.25' 185 'x+0.75, -y+0.75, z+0.25' 186 '-y+0.5, -x+0.5, z' 187 'y+0.5, x+0.5, z' 188 'x+0.5, -z+0.5, -y' 189 'x+0.5, z+0.5, y' 190 '-z+0.5, y+0.5, -x' 191 'z+0.5, y+0.5, x' loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_calc_flag O1_O2- O2- 1.0 0.38 0.38 0.38 0.0 . ASite_Zn2+ Zn2+ 0.2 0.0 0.0 0.0 0.0 . ASite_Fe3+ Fe3+ 0.8 0.0 0.0 0.0 0.0 . BSite_Fe3+ Fe3+ 0.6 0.625 0.625 0.625 0.0 . BSite_Co2+ Co2+ 0.4 0.625 0.625 0.625 0.0 . loop_ _atom_type_symbol _atom_type_oxidation_number O2- -2.0 Zn2+ 2.0 Fe3+ 3.0 Co2+ 2.0