#------------------------------------------------------------------------------ #$Date: 2021-11-20 04:21:15 +0200 (Sat, 20 Nov 2021) $ #$Revision: 270783 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/56/53/1565334.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_1565334 _publ_author_name 'Natheer B. Mahmood, Farqad R. Saeed, Kadhim R. Gbashi, Ali Hamodi and Zahraa M. Jaffar' _publ_section_title ; Structural properties of CoxCu1-xFe2O4 solid solution ; _journal_coden_ASTM 00 _journal_name_full ' Journal of the Mechanical Behavior of Materials' _journal_page_first 220 _journal_page_last 227 _journal_volume 30 _journal_year 2021 _chemical_formula_sum 'Co0.201 Cu0.8 Fe1.999 O4' _chemical_formula_weight 238.318 _chemical_name_systematic ; (Co0.255 Fe0.745) (Co0.745 Fe1.255) O4 ; _space_group_IT_number 227 _space_group_name_Hall '-F 4vw 2vw 3' _space_group_name_H-M_alt 'F d -3 m :2' _symmetry_Int_Tables_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _audit_creation_date 2020-10-26 _audit_creation_method Natheer _audit_update_record 2020-10-26 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_formula_units_Z 8 _cell_length_a 8.3721 _cell_length_b 8.3721 _cell_length_c 8.3721 _cell_volume 586.818 _cod_data_source_file Co0.2Cu0.8Fe2O4.CIF _cod_data_source_block Co0.2Cu0.8Fe2O4 _cod_original_cell_volume 586.8(0) _cod_original_sg_symbol_Hall -F_4vw_2vw_3 _cod_original_sg_symbol_H-M 'F d -3 m' _cod_original_formula_sum 'O4 Fe1.999 Cu0.8 Co0.201' _cod_database_code 1565334 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,1/4+x,1/4+z 3 1/4-x,1/4-y,z 4 1/4+y,-x,1/4+z 5 1/4+x,-z,1/4+y 6 x,1/4-y,1/4-z 7 1/4+x,1/4+z,-y 8 1/4+z,1/4+y,-x 9 1/4-x,y,1/4-z 10 -z,1/4+y,1/4+x 11 z,x,y 12 y,z,x 13 1/4-y,1/4-z,x 14 z,1/4-x,1/4-y 15 1/4-y,z,1/4-x 16 1/4-z,1/4-x,y 17 1/4-z,x,1/4-y 18 y,1/4-z,1/4-x 19 1/4+y,1/4+x,-z 20 -y,-x,-z 21 -x,1/4+z,1/4+y 22 -x,-z,-y 23 1/4+z,-y,1/4+x 24 -z,-y,-x 25 -x,-y,-z 26 y,1/4-x,1/4-z 27 1/4+x,1/4+y,-z 28 1/4-y,x,1/4-z 29 1/4-x,z,1/4-y 30 -x,1/4+y,1/4+z 31 1/4-x,1/4-z,y 32 1/4-z,1/4-y,x 33 1/4+x,-y,1/4+z 34 z,1/4-y,1/4-x 35 -z,-x,-y 36 -y,-z,-x 37 1/4+y,1/4+z,-x 38 -z,1/4+x,1/4+y 39 1/4+y,-z,1/4+x 40 1/4+z,1/4+x,-y 41 1/4+z,-x,1/4+y 42 -y,1/4+z,1/4+x 43 1/4-y,1/4-x,z 44 y,x,z 45 x,1/4-z,1/4-y 46 x,z,y 47 1/4-z,y,1/4-x 48 z,y,x 49 x,1/2+y,1/2+z 50 -y,3/4+x,3/4+z 51 1/4-x,3/4-y,1/2+z 52 1/4+y,1/2-x,3/4+z 53 1/4+x,1/2-z,3/4+y 54 x,3/4-y,3/4-z 55 1/4+x,3/4+z,1/2-y 56 1/4+z,3/4+y,1/2-x 57 1/4-x,1/2+y,3/4-z 58 -z,3/4+y,3/4+x 59 z,1/2+x,1/2+y 60 y,1/2+z,1/2+x 61 1/4-y,3/4-z,1/2+x 62 z,3/4-x,3/4-y 63 1/4-y,1/2+z,3/4-x 64 1/4-z,3/4-x,1/2+y 65 1/4-z,1/2+x,3/4-y 66 y,3/4-z,3/4-x 67 1/4+y,3/4+x,1/2-z 68 -y,1/2-x,1/2-z 69 -x,3/4+z,3/4+y 70 -x,1/2-z,1/2-y 71 1/4+z,1/2-y,3/4+x 72 -z,1/2-y,1/2-x 73 -x,1/2-y,1/2-z 74 y,3/4-x,3/4-z 75 1/4+x,3/4+y,1/2-z 76 1/4-y,1/2+x,3/4-z 77 1/4-x,1/2+z,3/4-y 78 -x,3/4+y,3/4+z 79 1/4-x,3/4-z,1/2+y 80 1/4-z,3/4-y,1/2+x 81 1/4+x,1/2-y,3/4+z 82 z,3/4-y,3/4-x 83 -z,1/2-x,1/2-y 84 -y,1/2-z,1/2-x 85 1/4+y,3/4+z,1/2-x 86 -z,3/4+x,3/4+y 87 1/4+y,1/2-z,3/4+x 88 1/4+z,3/4+x,1/2-y 89 1/4+z,1/2-x,3/4+y 90 -y,3/4+z,3/4+x 91 1/4-y,3/4-x,1/2+z 92 y,1/2+x,1/2+z 93 x,3/4-z,3/4-y 94 x,1/2+z,1/2+y 95 1/4-z,1/2+y,3/4-x 96 z,1/2+y,1/2+x 97 1/2+x,y,1/2+z 98 1/2-y,1/4+x,3/4+z 99 3/4-x,1/4-y,1/2+z 100 3/4+y,-x,3/4+z 101 3/4+x,-z,3/4+y 102 1/2+x,1/4-y,3/4-z 103 3/4+x,1/4+z,1/2-y 104 3/4+z,1/4+y,1/2-x 105 3/4-x,y,3/4-z 106 1/2-z,1/4+y,3/4+x 107 1/2+z,x,1/2+y 108 1/2+y,z,1/2+x 109 3/4-y,1/4-z,1/2+x 110 1/2+z,1/4-x,3/4-y 111 3/4-y,z,3/4-x 112 3/4-z,1/4-x,1/2+y 113 3/4-z,x,3/4-y 114 1/2+y,1/4-z,3/4-x 115 3/4+y,1/4+x,1/2-z 116 1/2-y,-x,1/2-z 117 1/2-x,1/4+z,3/4+y 118 1/2-x,-z,1/2-y 119 3/4+z,-y,3/4+x 120 1/2-z,-y,1/2-x 121 1/2-x,-y,1/2-z 122 1/2+y,1/4-x,3/4-z 123 3/4+x,1/4+y,1/2-z 124 3/4-y,x,3/4-z 125 3/4-x,z,3/4-y 126 1/2-x,1/4+y,3/4+z 127 3/4-x,1/4-z,1/2+y 128 3/4-z,1/4-y,1/2+x 129 3/4+x,-y,3/4+z 130 1/2+z,1/4-y,3/4-x 131 1/2-z,-x,1/2-y 132 1/2-y,-z,1/2-x 133 3/4+y,1/4+z,1/2-x 134 1/2-z,1/4+x,3/4+y 135 3/4+y,-z,3/4+x 136 3/4+z,1/4+x,1/2-y 137 3/4+z,-x,3/4+y 138 1/2-y,1/4+z,3/4+x 139 3/4-y,1/4-x,1/2+z 140 1/2+y,x,1/2+z 141 1/2+x,1/4-z,3/4-y 142 1/2+x,z,1/2+y 143 3/4-z,y,3/4-x 144 1/2+z,y,1/2+x 145 1/2+x,1/2+y,z 146 1/2-y,3/4+x,1/4+z 147 3/4-x,3/4-y,z 148 3/4+y,1/2-x,1/4+z 149 3/4+x,1/2-z,1/4+y 150 1/2+x,3/4-y,1/4-z 151 3/4+x,3/4+z,-y 152 3/4+z,3/4+y,-x 153 3/4-x,1/2+y,1/4-z 154 1/2-z,3/4+y,1/4+x 155 1/2+z,1/2+x,y 156 1/2+y,1/2+z,x 157 3/4-y,3/4-z,x 158 1/2+z,3/4-x,1/4-y 159 3/4-y,1/2+z,1/4-x 160 3/4-z,3/4-x,y 161 3/4-z,1/2+x,1/4-y 162 1/2+y,3/4-z,1/4-x 163 3/4+y,3/4+x,-z 164 1/2-y,1/2-x,-z 165 1/2-x,3/4+z,1/4+y 166 1/2-x,1/2-z,-y 167 3/4+z,1/2-y,1/4+x 168 1/2-z,1/2-y,-x 169 1/2-x,1/2-y,-z 170 1/2+y,3/4-x,1/4-z 171 3/4+x,3/4+y,-z 172 3/4-y,1/2+x,1/4-z 173 3/4-x,1/2+z,1/4-y 174 1/2-x,3/4+y,1/4+z 175 3/4-x,3/4-z,y 176 3/4-z,3/4-y,x 177 3/4+x,1/2-y,1/4+z 178 1/2+z,3/4-y,1/4-x 179 1/2-z,1/2-x,-y 180 1/2-y,1/2-z,-x 181 3/4+y,3/4+z,-x 182 1/2-z,3/4+x,1/4+y 183 3/4+y,1/2-z,1/4+x 184 3/4+z,3/4+x,-y 185 3/4+z,1/2-x,1/4+y 186 1/2-y,3/4+z,1/4+x 187 3/4-y,3/4-x,z 188 1/2+y,1/2+x,z 189 1/2+x,3/4-z,1/4-y 190 1/2+x,1/2+z,y 191 3/4-z,1/2+y,1/4-x 192 1/2+z,1/2+y,x loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_calc_flag _atom_site_U_iso_or_equiv O1 O+0 0.2566 0.2566 0.2566 1.000 32 e d 0.00000 Fe2 Fe+0 0.5000 0.5000 0.5000 0.627 16 d d 0.00000 C1 Cu 0.5000 0.5000 0.5000 0.298 16 d d 0.00000 Co2 Co+0 0.5000 0.5000 0.5000 0.075 16 d d 0.00000 Fe1 Fe+0 0.1250 0.1250 0.1250 0.745 8 a d 0.00000 C2 Cu 0.1250 0.1250 0.1250 0.204 8 a d 0.00000 Co1 Co+0 0.1250 0.1250 0.1250 0.051 8 a d 0.00000 loop_ _atom_type_symbol _atom_type_oxidation_number O+0 -2.000 Fe+0 3.000 Cu ? Co+0 2.000