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_cell_length_a 5.644 _cell_length_b 5.644 _cell_length_c 5.644 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 179.79 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'F m -3 m' _symmetry_Int_Tables_number 225 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'z, y, -x' 2 'y, x, -z' 3 'x, z, -y' 4 'z, x, -y' 5 'y, z, -x' 6 'x, y, -z' 7 'z, -y, x' 8 'y, -x, z' 9 'x, -z, y' 10 'z, -x, y' 11 'y, -z, x' 12 'x, -y, z' 13 '-z, y, x' 14 '-y, x, z' 15 '-x, z, y' 16 '-z, x, y' 17 '-y, z, x' 18 '-x, y, z' 19 '-z, -y, -x' 20 '-y, -x, -z' 21 '-x, -z, -y' 22 '-z, -x, -y' 23 '-y, -z, -x' 24 '-x, -y, -z' 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, y+.5, -x+.5' 50 'z+.5, y, -x+.5' 51 'z+.5, y+.5, -x' 52 'y, x+.5, -z+.5' 53 'y+.5, x, -z+.5' 54 'y+.5, x+.5, -z' 55 'x, z+.5, -y+.5' 56 'x+.5, z, -y+.5' 57 'x+.5, z+.5, -y' 58 'z, x+.5, -y+.5' 59 'z+.5, x, -y+.5' 60 'z+.5, x+.5, -y' 61 'y, z+.5, -x+.5' 62 'y+.5, z, -x+.5' 63 'y+.5, z+.5, -x' 64 'x, y+.5, -z+.5' 65 'x+.5, y, -z+.5' 66 'x+.5, y+.5, -z' 67 'z, -y+.5, x+.5' 68 'z+.5, -y, x+.5' 69 'z+.5, -y+.5, x' 70 'y, -x+.5, z+.5' 71 'y+.5, -x, z+.5' 72 'y+.5, -x+.5, z' 73 'x, -z+.5, y+.5' 74 'x+.5, -z, y+.5' 75 'x+.5, -z+.5, y' 76 'z, -x+.5, y+.5' 77 'z+.5, -x, y+.5' 78 'z+.5, -x+.5, y' 79 'y, -z+.5, x+.5' 80 'y+.5, -z, x+.5' 81 'y+.5, -z+.5, x' 82 'x, -y+.5, z+.5' 83 'x+.5, -y, z+.5' 84 'x+.5, -y+.5, z' 85 '-z, y+.5, x+.5' 86 '-z+.5, y, x+.5' 87 '-z+.5, y+.5, x' 88 '-y, x+.5, z+.5' 89 '-y+.5, x, z+.5' 90 '-y+.5, x+.5, z' 91 '-x, z+.5, y+.5' 92 '-x+.5, z, y+.5' 93 '-x+.5, z+.5, y' 94 '-z, x+.5, y+.5' 95 '-z+.5, x, y+.5' 96 '-z+.5, x+.5, y' 97 '-y, z+.5, x+.5' 98 '-y+.5, z, x+.5' 99 '-y+.5, z+.5, x' 100 '-x, y+.5, z+.5' 101 '-x+.5, y, z+.5' 102 '-x+.5, y+.5, z' 103 '-z, -y+.5, -x+.5' 104 '-z+.5, -y, -x+.5' 105 '-z+.5, -y+.5, -x' 106 '-y, -x+.5, -z+.5' 107 '-y+.5, -x, -z+.5' 108 '-y+.5, -x+.5, -z' 109 '-x, -z+.5, -y+.5' 110 '-x+.5, -z, -y+.5' 111 '-x+.5, -z+.5, -y' 112 '-z, -x+.5, -y+.5' 113 '-z+.5, -x, -y+.5' 114 '-z+.5, -x+.5, -y' 115 '-y, -z+.5, -x+.5' 116 '-y+.5, -z, -x+.5' 117 '-y+.5, -z+.5, -x' 118 '-x, -y+.5, -z+.5' 119 '-x+.5, -y, -z+.5' 120 '-x+.5, -y+.5, -z' 121 '-z, -y+.5, x+.5' 122 '-z+.5, -y, x+.5' 123 '-z+.5, -y+.5, x' 124 '-y, -x+.5, z+.5' 125 '-y+.5, -x, z+.5' 126 '-y+.5, -x+.5, z' 127 '-x, -z+.5, y+.5' 128 '-x+.5, -z, y+.5' 129 '-x+.5, -z+.5, y' 130 '-z, -x+.5, y+.5' 131 '-z+.5, -x, y+.5' 132 '-z+.5, -x+.5, y' 133 '-y, -z+.5, x+.5' 134 '-y+.5, -z, x+.5' 135 '-y+.5, -z+.5, x' 136 '-x, -y+.5, z+.5' 137 '-x+.5, -y, z+.5' 138 '-x+.5, -y+.5, z' 139 '-z, y+.5, -x+.5' 140 '-z+.5, y, -x+.5' 141 '-z+.5, y+.5, -x' 142 '-y, x+.5, -z+.5' 143 '-y+.5, x, -z+.5' 144 '-y+.5, x+.5, -z' 145 '-x, z+.5, -y+.5' 146 '-x+.5, z, -y+.5' 147 '-x+.5, z+.5, -y' 148 '-z, x+.5, -y+.5' 149 '-z+.5, x, -y+.5' 150 '-z+.5, x+.5, -y' 151 '-y, z+.5, -x+.5' 152 '-y+.5, z, -x+.5' 153 '-y+.5, z+.5, -x' 154 '-x, y+.5, -z+.5' 155 '-x+.5, y, -z+.5' 156 '-x+.5, y+.5, -z' 157 'z, -y+.5, -x+.5' 158 'z+.5, -y, -x+.5' 159 'z+.5, -y+.5, -x' 160 'y, -x+.5, -z+.5' 161 'y+.5, -x, -z+.5' 162 'y+.5, -x+.5, -z' 163 'x, -z+.5, -y+.5' 164 'x+.5, -z, -y+.5' 165 'x+.5, -z+.5, -y' 166 'z, -x+.5, -y+.5' 167 'z+.5, -x, -y+.5' 168 'z+.5, -x+.5, -y' 169 'y, -z+.5, -x+.5' 170 'y+.5, -z, -x+.5' 171 'y+.5, -z+.5, -x' 172 'x, -y+.5, -z+.5' 173 'x+.5, -y, -z+.5' 174 'x+.5, -y+.5, -z' 175 'z, y+.5, x+.5' 176 'z+.5, y, x+.5' 177 'z+.5, y+.5, x' 178 'y, x+.5, z+.5' 179 'y+.5, x, z+.5' 180 'y+.5, x+.5, z' 181 'x, z+.5, y+.5' 182 'x+.5, z, y+.5' 183 'x+.5, z+.5, y' 184 'z, x+.5, y+.5' 185 'z+.5, x, y+.5' 186 'z+.5, x+.5, y' 187 'y, z+.5, x+.5' 188 'y+.5, z, x+.5' 189 'y+.5, z+.5, x' 190 'x, y+.5, z+.5' 191 'x+.5, y, z+.5' 192 'x+.5, y+.5, z' loop_ _atom_type_symbol _atom_type_oxidation_number Cl1- -1 Na1+ 1 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 Na1 Na1+ 4 a 0 0 0 1. 0 Cl1 Cl1- 4 b 0.5 0.5 0.5 1. 0 #End of data_41439-ICSD 我理解8個就是了, 怎么出來這么多? [ Last edited by gloomy2004 on 2011-1-8 at 13:58 ] |
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