#------------------------------------------------------------------------------ #$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/4/4000642.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_4000642 _journal_name_full 'Chemistry of Materials' _journal_year 2005 loop_ _publ_author_name 'Marie-Pierre Bichat' 'Jean-Louis Pascal' 'Frederic Gillot ' 'Frederic Favier' _chemical_name_common 'Li4ZnP2' _chemical_formula_sum 'Li4 P2 Zn' _[local]_cod_chemical_formula_sum_orig 'Li4 P2 Zn1' _chemical_formula_weight 155.1 _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'F m -3 m' _symmetry_space_group_name_Hall '-F 4;2;3' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x,z 3 x,-y,-z 4 z,x,y 5 -x,-y,z 6 y,x,-z 7 -x,z,y 8 y,-x,z 9 -x,y,-z 10 -z,-x,y 11 -y,-x,-z 12 x,-z,y 13 z,-x,-y 14 x,z,-y 15 -z,x,-y 16 -x,-z,-y 17 z,-y,x 18 y,z,x 19 -z,y,x 20 -y,-z,x 21 z,y,-x 22 -y,z,-x 23 -z,-y,-x 24 y,-z,-x 25 -x,-y,-z 26 y,-x,-z 27 -x,y,z 28 -z,-x,-y 29 x,y,-z 30 -y,-x,z 31 x,-z,-y 32 -y,x,-z 33 x,-y,z 34 z,x,-y 35 y,x,z 36 -x,z,-y 37 -z,x,y 38 -x,-z,y 39 z,-x,y 40 x,z,y 41 -z,y,-x 42 -y,-z,-x 43 z,-y,-x 44 y,z,-x 45 -z,-y,x 46 y,-z,x 47 z,y,x 48 -y,z,x 49 x,1/2+y,1/2+z 50 -y,1/2+x,1/2+z 51 x,1/2-y,1/2-z 52 z,1/2+x,1/2+y 53 -x,1/2-y,1/2+z 54 y,1/2+x,1/2-z 55 -x,1/2+z,1/2+y 56 y,1/2-x,1/2+z 57 -x,1/2+y,1/2-z 58 -z,1/2-x,1/2+y 59 -y,1/2-x,1/2-z 60 x,1/2-z,1/2+y 61 z,1/2-x,1/2-y 62 x,1/2+z,1/2-y 63 -z,1/2+x,1/2-y 64 -x,1/2-z,1/2-y 65 z,1/2-y,1/2+x 66 y,1/2+z,1/2+x 67 -z,1/2+y,1/2+x 68 -y,1/2-z,1/2+x 69 z,1/2+y,1/2-x 70 -y,1/2+z,1/2-x 71 -z,1/2-y,1/2-x 72 y,1/2-z,1/2-x 73 -x,1/2-y,1/2-z 74 y,1/2-x,1/2-z 75 -x,1/2+y,1/2+z 76 -z,1/2-x,1/2-y 77 x,1/2+y,1/2-z 78 -y,1/2-x,1/2+z 79 x,1/2-z,1/2-y 80 -y,1/2+x,1/2-z 81 x,1/2-y,1/2+z 82 z,1/2+x,1/2-y 83 y,1/2+x,1/2+z 84 -x,1/2+z,1/2-y 85 -z,1/2+x,1/2+y 86 -x,1/2-z,1/2+y 87 z,1/2-x,1/2+y 88 x,1/2+z,1/2+y 89 -z,1/2+y,1/2-x 90 -y,1/2-z,1/2-x 91 z,1/2-y,1/2-x 92 y,1/2+z,1/2-x 93 -z,1/2-y,1/2+x 94 y,1/2-z,1/2+x 95 z,1/2+y,1/2+x 96 -y,1/2+z,1/2+x 97 1/2+x,y,1/2+z 98 1/2-y,x,1/2+z 99 1/2+x,-y,1/2-z 100 1/2+z,x,1/2+y 101 1/2-x,-y,1/2+z 102 1/2+y,x,1/2-z 103 1/2-x,z,1/2+y 104 1/2+y,-x,1/2+z 105 1/2-x,y,1/2-z 106 1/2-z,-x,1/2+y 107 1/2-y,-x,1/2-z 108 1/2+x,-z,1/2+y 109 1/2+z,-x,1/2-y 110 1/2+x,z,1/2-y 111 1/2-z,x,1/2-y 112 1/2-x,-z,1/2-y 113 1/2+z,-y,1/2+x 114 1/2+y,z,1/2+x 115 1/2-z,y,1/2+x 116 1/2-y,-z,1/2+x 117 1/2+z,y,1/2-x 118 1/2-y,z,1/2-x 119 1/2-z,-y,1/2-x 120 1/2+y,-z,1/2-x 121 1/2-x,-y,1/2-z 122 1/2+y,-x,1/2-z 123 1/2-x,y,1/2+z 124 1/2-z,-x,1/2-y 125 1/2+x,y,1/2-z 126 1/2-y,-x,1/2+z 127 1/2+x,-z,1/2-y 128 1/2-y,x,1/2-z 129 1/2+x,-y,1/2+z 130 1/2+z,x,1/2-y 131 1/2+y,x,1/2+z 132 1/2-x,z,1/2-y 133 1/2-z,x,1/2+y 134 1/2-x,-z,1/2+y 135 1/2+z,-x,1/2+y 136 1/2+x,z,1/2+y 137 1/2-z,y,1/2-x 138 1/2-y,-z,1/2-x 139 1/2+z,-y,1/2-x 140 1/2+y,z,1/2-x 141 1/2-z,-y,1/2+x 142 1/2+y,-z,1/2+x 143 1/2+z,y,1/2+x 144 1/2-y,z,1/2+x 145 1/2+x,1/2+y,z 146 1/2-y,1/2+x,z 147 1/2+x,1/2-y,-z 148 1/2+z,1/2+x,y 149 1/2-x,1/2-y,z 150 1/2+y,1/2+x,-z 151 1/2-x,1/2+z,y 152 1/2+y,1/2-x,z 153 1/2-x,1/2+y,-z 154 1/2-z,1/2-x,y 155 1/2-y,1/2-x,-z 156 1/2+x,1/2-z,y 157 1/2+z,1/2-x,-y 158 1/2+x,1/2+z,-y 159 1/2-z,1/2+x,-y 160 1/2-x,1/2-z,-y 161 1/2+z,1/2-y,x 162 1/2+y,1/2+z,x 163 1/2-z,1/2+y,x 164 1/2-y,1/2-z,x 165 1/2+z,1/2+y,-x 166 1/2-y,1/2+z,-x 167 1/2-z,1/2-y,-x 168 1/2+y,1/2-z,-x 169 1/2-x,1/2-y,-z 170 1/2+y,1/2-x,-z 171 1/2-x,1/2+y,z 172 1/2-z,1/2-x,-y 173 1/2+x,1/2+y,-z 174 1/2-y,1/2-x,z 175 1/2+x,1/2-z,-y 176 1/2-y,1/2+x,-z 177 1/2+x,1/2-y,z 178 1/2+z,1/2+x,-y 179 1/2+y,1/2+x,z 180 1/2-x,1/2+z,-y 181 1/2-z,1/2+x,y 182 1/2-x,1/2-z,y 183 1/2+z,1/2-x,y 184 1/2+x,1/2+z,y 185 1/2-z,1/2+y,-x 186 1/2-y,1/2-z,-x 187 1/2+z,1/2-y,-x 188 1/2+y,1/2+z,-x 189 1/2-z,1/2-y,x 190 1/2+y,1/2-z,x 191 1/2+z,1/2+y,x 192 1/2-y,1/2+z,x _cell_length_a 5.9035(1) _cell_length_b 5.9035(1) _cell_length_c 5.9035(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 205.746(3) _cell_formula_units_Z 2 _cell_measurement_temperature 298 _exptl_crystal_density_diffrn 2.508 _diffrn_ambient_temperature 298 _pd_proc_ls_prof_R_factor 0.0571 _pd_proc_ls_prof_wR_factor 0.0733 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_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Zn Zn 0.25 0.25 0.25 0.25 Biso 3.3(1) 8 Li Li 0.25 0.25 0.25 0.75 Biso 7.4(2) 8 Li Li 0.5 0.5 0.5 0.5 Biso 7.6(2) 4 P P 0.0 0.0 0.0 1 Biso 2.3(1) 4 _cod_database_code 4000642