############################################################################### # Thewlis, J. (1955) # Acta Crystallographica (1,1948-23,1967) 8, 36-38 # Unit-cell dimensions of lithium fluoride made from 6Li and 7Li # # CIF by ICSD-for-WWW, Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr) # NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html ############################################################################### data_44879-ICSD _database_code_ICSD 44879 _audit_creation_date 2000-12-16 _chemical_name_systematic 'Lithium fluoride' _chemical_formula_structural 'Li F' _chemical_formula_sum 'F1 Li1' _publ_section_title 'F1 Li1' loop_ _citation_id _citation_journal_abbrev _citation_year _citation_journal_volume _citation_page_first _citation_page_last _citation_journal_id_ASTM primary 'Acta Crystallographica (1,1948-23,1967)' 1955 8 36 38 ACCRA9 loop_ _publ_author_name Thewlis, J. _cell_length_a 4.0263(1) _cell_length_b 4.0263 _cell_length_c 4.0263 _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 65.27 _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+1/2, -x+1/2' 50 'y, x+1/2, -z+1/2' 51 'x, z+1/2, -y+1/2' 52 'z, x+1/2, -y+1/2' 53 'y, z+1/2, -x+1/2' 54 'x, y+1/2, -z+1/2' 55 'z, -y+1/2, x+1/2' 56 'y, -x+1/2, z+1/2' 57 'x, -z+1/2, y+1/2' 58 'z, -x+1/2, y+1/2' 59 'y, -z+1/2, x+1/2' 60 'x, -y+1/2, z+1/2' 61 '-z, y+1/2, x+1/2' 62 '-y, x+1/2, z+1/2' 63 '-x, z+1/2, y+1/2' 64 '-z, x+1/2, y+1/2' 65 '-y, z+1/2, x+1/2' 66 '-x, y+1/2, z+1/2' 67 '-z, -y+1/2, -x+1/2' 68 '-y, -x+1/2, -z+1/2' 69 '-x, -z+1/2, -y+1/2' 70 '-z, -x+1/2, -y+1/2' 71 '-y, -z+1/2, -x+1/2' 72 '-x, -y+1/2, -z+1/2' 73 '-z, -y+1/2, x+1/2' 74 '-y, -x+1/2, z+1/2' 75 '-x, -z+1/2, y+1/2' 76 '-z, -x+1/2, y+1/2' 77 '-y, -z+1/2, x+1/2' 78 '-x, -y+1/2, z+1/2' 79 '-z, y+1/2, -x+1/2' 80 '-y, x+1/2, -z+1/2' 81 '-x, z+1/2, -y+1/2' 82 '-z, x+1/2, -y+1/2' 83 '-y, z+1/2, -x+1/2' 84 '-x, y+1/2, -z+1/2' 85 'z, -y+1/2, -x+1/2' 86 'y, -x+1/2, -z+1/2' 87 'x, -z+1/2, -y+1/2' 88 'z, -x+1/2, -y+1/2' 89 'y, -z+1/2, -x+1/2' 90 'x, -y+1/2, -z+1/2' 91 'z, y+1/2, x+1/2' 92 'y, x+1/2, z+1/2' 93 'x, z+1/2, y+1/2' 94 'z, x+1/2, y+1/2' 95 'y, z+1/2, x+1/2' 96 'x, y+1/2, z+1/2' 97 'z+1/2, y, -x+1/2' 98 'y+1/2, x, -z+1/2' 99 'x+1/2, z, -y+1/2' 100 'z+1/2, x, -y+1/2' 101 'y+1/2, z, -x+1/2' 102 'x+1/2, y, -z+1/2' 103 'z+1/2, -y, x+1/2' 104 'y+1/2, -x, z+1/2' 105 'x+1/2, -z, y+1/2' 106 'z+1/2, -x, y+1/2' 107 'y+1/2, -z, x+1/2' 108 'x+1/2, -y, z+1/2' 109 '-z+1/2, y, x+1/2' 110 '-y+1/2, x, z+1/2' 111 '-x+1/2, z, y+1/2' 112 '-z+1/2, x, y+1/2' 113 '-y+1/2, z, x+1/2' 114 '-x+1/2, y, z+1/2' 115 '-z+1/2, -y, -x+1/2' 116 '-y+1/2, -x, -z+1/2' 117 '-x+1/2, -z, -y+1/2' 118 '-z+1/2, -x, -y+1/2' 119 '-y+1/2, -z, -x+1/2' 120 '-x+1/2, -y, -z+1/2' 121 '-z+1/2, -y, x+1/2' 122 '-y+1/2, -x, z+1/2' 123 '-x+1/2, -z, y+1/2' 124 '-z+1/2, -x, y+1/2' 125 '-y+1/2, -z, x+1/2' 126 '-x+1/2, -y, z+1/2' 127 '-z+1/2, y, -x+1/2' 128 '-y+1/2, x, -z+1/2' 129 '-x+1/2, z, -y+1/2' 130 '-z+1/2, x, -y+1/2' 131 '-y+1/2, z, -x+1/2' 132 '-x+1/2, y, -z+1/2' 133 'z+1/2, -y, -x+1/2' 134 'y+1/2, -x, -z+1/2' 135 'x+1/2, -z, -y+1/2' 136 'z+1/2, -x, -y+1/2' 137 'y+1/2, -z, -x+1/2' 138 'x+1/2, -y, -z+1/2' 139 'z+1/2, y, x+1/2' 140 'y+1/2, x, z+1/2' 141 'x+1/2, z, y+1/2' 142 'z+1/2, x, y+1/2' 143 'y+1/2, z, x+1/2' 144 'x+1/2, y, z+1/2' 145 'z+1/2, y+1/2, -x' 146 'y+1/2, x+1/2, -z' 147 'x+1/2, z+1/2, -y' 148 'z+1/2, x+1/2, -y' 149 'y+1/2, z+1/2, -x' 150 'x+1/2, y+1/2, -z' 151 'z+1/2, -y+1/2, x' 152 'y+1/2, -x+1/2, z' 153 'x+1/2, -z+1/2, y' 154 'z+1/2, -x+1/2, y' 155 'y+1/2, -z+1/2, x' 156 'x+1/2, -y+1/2, z' 157 '-z+1/2, y+1/2, x' 158 '-y+1/2, x+1/2, z' 159 '-x+1/2, z+1/2, y' 160 '-z+1/2, x+1/2, y' 161 '-y+1/2, z+1/2, x' 162 '-x+1/2, y+1/2, z' 163 '-z+1/2, -y+1/2, -x' 164 '-y+1/2, -x+1/2, -z' 165 '-x+1/2, -z+1/2, -y' 166 '-z+1/2, -x+1/2, -y' 167 '-y+1/2, -z+1/2, -x' 168 '-x+1/2, -y+1/2, -z' 169 '-z+1/2, -y+1/2, x' 170 '-y+1/2, -x+1/2, z' 171 '-x+1/2, -z+1/2, y' 172 '-z+1/2, -x+1/2, y' 173 '-y+1/2, -z+1/2, x' 174 '-x+1/2, -y+1/2, z' 175 '-z+1/2, y+1/2, -x' 176 '-y+1/2, x+1/2, -z' 177 '-x+1/2, z+1/2, -y' 178 '-z+1/2, x+1/2, -y' 179 '-y+1/2, z+1/2, -x' 180 '-x+1/2, y+1/2, -z' 181 'z+1/2, -y+1/2, -x' 182 'y+1/2, -x+1/2, -z' 183 'x+1/2, -z+1/2, -y' 184 'z+1/2, -x+1/2, -y' 185 'y+1/2, -z+1/2, -x' 186 'x+1/2, -y+1/2, -z' 187 'z+1/2, y+1/2, x' 188 'y+1/2, x+1/2, z' 189 'x+1/2, z+1/2, y' 190 'z+1/2, x+1/2, y' 191 'y+1/2, z+1/2, x' 192 'x+1/2, y+1/2, z' loop_ _atom_type_symbol _atom_type_oxidation_number Li1+ 1. F1- -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_B_iso_or_equiv _atom_site_occupancy Li1 Li1+ 4 a 0 0 0 0.0 1. F1 F1- 4 b 0.5 0.5 0.5 0.0 1. loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Li1 Li1+ 0. 0. 0. 0 0 0 F1 F1- 0. 0. 0. 0 0 0 #End of data_44879-ICSD