76 HgBr_2 & C24 & oC12 & Cmc2_1-C_{2v}^{12} #36 & Strukturbericht II, p. 18 Hg 0.00000000 15.82070000 0.00000000 Hg 0.00000000 11.33930000 6.22000000 Br 0.00000000 13.98740000 1.61720000 Br 0.00000000 13.17260000 7.83720000 Br 0.00000000 10.93190000 10.82280000 Hg 0.00000000 15.82070000 12.44000000 Hg 2.31000000 14.73430000 6.22000000 Br 2.31000000 14.32690000 10.82280000 Hg 0.00000000 9.03070000 0.00000000 Hg 0.00000000 4.54930000 6.22000000 Br 0.00000000 7.19740000 1.61720000 Br 0.00000000 6.38260000 7.83720000 Br 0.00000000 9.43810000 4.60280000 Br 0.00000000 4.14190000 10.82280000 Hg 0.00000000 9.03070000 12.44000000 Hg 2.31000000 12.42570000 0.00000000 Hg 2.31000000 7.94430000 6.22000000 Br 2.31000000 10.59240000 1.61720000 Br 2.31000000 9.77760000 7.83720000 Br 2.31000000 12.83310000 4.60280000 Br 2.31000000 7.53690000 10.82280000 Hg 2.31000000 12.42570000 12.44000000 Hg 4.62000000 15.82070000 0.00000000 Hg 4.62000000 11.33930000 6.22000000 Br 4.62000000 13.98740000 1.61720000 Br 4.62000000 13.17260000 7.83720000 Br 4.62000000 10.93190000 10.82280000 Hg 4.62000000 15.82070000 12.44000000 Hg 6.93000000 14.73430000 6.22000000 Br 6.93000000 14.32690000 10.82280000 Hg 0.00000000 2.24070000 0.00000000 Br 0.00000000 2.64810000 4.60280000 Hg 0.00000000 2.24070000 12.44000000 Hg 2.31000000 5.63570000 0.00000000 Br 2.31000000 3.80240000 1.61720000 Br 2.31000000 2.98760000 7.83720000 Br 2.31000000 6.04310000 4.60280000 Hg 2.31000000 5.63570000 12.44000000 Hg 4.62000000 9.03070000 0.00000000 Hg 4.62000000 4.54930000 6.22000000 Br 4.62000000 7.19740000 1.61720000 Br 4.62000000 6.38260000 7.83720000 Br 4.62000000 9.43810000 4.60280000 Br 4.62000000 4.14190000 10.82280000 Hg 4.62000000 9.03070000 12.44000000 Hg 6.93000000 12.42570000 0.00000000 Hg 6.93000000 7.94430000 6.22000000 Br 6.93000000 10.59240000 1.61720000 Br 6.93000000 9.77760000 7.83720000 Br 6.93000000 12.83310000 4.60280000 Br 6.93000000 7.53690000 10.82280000 Hg 6.93000000 12.42570000 12.44000000 Hg 9.24000000 15.82070000 0.00000000 Hg 9.24000000 11.33930000 6.22000000 Br 9.24000000 13.98740000 1.61720000 Br 9.24000000 13.17260000 7.83720000 Br 9.24000000 10.93190000 10.82280000 Hg 9.24000000 15.82070000 12.44000000 Hg 4.62000000 2.24070000 0.00000000 Br 4.62000000 2.64810000 4.60280000 Hg 4.62000000 2.24070000 12.44000000 Hg 6.93000000 5.63570000 0.00000000 Br 6.93000000 3.80240000 1.61720000 Br 6.93000000 2.98760000 7.83720000 Br 6.93000000 6.04310000 4.60280000 Hg 6.93000000 5.63570000 12.44000000 Hg 9.24000000 9.03070000 0.00000000 Hg 9.24000000 4.54930000 6.22000000 Br 9.24000000 7.19740000 1.61720000 Br 9.24000000 6.38260000 7.83720000 Br 9.24000000 9.43810000 4.60280000 Br 9.24000000 4.14190000 10.82280000 Hg 9.24000000 9.03070000 12.44000000 Hg 9.24000000 2.24070000 0.00000000 Br 9.24000000 2.64810000 4.60280000 Hg 9.24000000 2.24070000 12.44000000 **************************************** Primitive vectors a(1) = 2.31000000 -3.39500000 0.00000000 a(2) = 2.31000000 3.39500000 0.00000000 a(3) = 0.00000000 0.00000000 12.44000000 Volume = 195.12015600 Reciprocal vectors b(1) = 0.21645022 -0.14727541 0.00000000 b(2) = 0.21645022 0.14727541 0.00000000 b(3) = 0.00000000 0.00000000 0.08038585 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Hg -0.33000000 0.33000000 0.00000000 0.00000000 2.24070000 0.00000000 Hg 0.33000000 -0.33000000 0.50000000 0.00000000 -2.24070000 6.22000000 Br -0.06000000 0.06000000 0.13000000 0.00000000 0.40740000 1.61720000 Br 0.06000000 -0.06000000 0.63000000 0.00000000 -0.40740000 7.83720000 Br -0.39000000 0.39000000 0.37000000 0.00000000 2.64810000 4.60280000 Br 0.39000000 -0.39000000 0.87000000 0.00000000 -2.64810000 10.82280000