111 Mn_2 O_3 & Ia(-3)-T_h^7 #206 (bde) & D5_3 & cI80 & Dachs, Zf Kristall. 107, 37 Fe 2.35000000 2.35000000 2.35000000 Fe 11.75000000 2.35000000 2.35000000 Fe 7.05000000 2.35000000 2.35000000 Fe 2.35000000 11.75000000 2.35000000 Fe 2.35000000 7.05000000 2.35000000 Fe 2.35000000 2.35000000 11.75000000 Fe 2.35000000 2.35000000 7.05000000 Fe 7.05000000 7.05000000 7.05000000 Fe 2.35000000 7.05000000 7.05000000 Fe 7.05000000 2.35000000 7.05000000 Fe 7.05000000 7.05000000 2.35000000 Mn 4.37664000 4.70000000 7.05000000 Mn 7.05000000 4.37664000 4.70000000 Mn 4.70000000 7.05000000 4.37664000 Mn 5.02336000 4.70000000 2.35000000 Mn 4.37664000 9.40000000 2.35000000 Mn 2.35000000 5.02336000 4.70000000 Mn 2.35000000 4.37664000 9.40000000 Mn 4.70000000 2.35000000 5.02336000 Mn 9.40000000 2.35000000 4.37664000 O 7.87720000 5.64000000 5.87500000 O 6.22280000 5.64000000 3.52500000 O 3.17720000 8.46000000 3.52500000 O 5.87500000 7.87720000 5.64000000 O 3.52500000 6.22280000 5.64000000 O 3.52500000 3.17720000 8.46000000 O 5.64000000 5.87500000 7.87720000 O 5.64000000 3.52500000 6.22280000 O 8.46000000 3.52500000 3.17720000 O 3.17720000 5.64000000 8.22500000 O 3.17720000 3.76000000 5.87500000 O 8.22500000 3.17720000 5.64000000 O 5.87500000 3.17720000 3.76000000 O 5.64000000 8.22500000 3.17720000 O 3.76000000 5.87500000 3.17720000 Fe 11.75000000 11.75000000 2.35000000 Fe 7.05000000 11.75000000 2.35000000 Fe 11.75000000 7.05000000 2.35000000 Mn 9.07664000 9.40000000 2.35000000 Mn 9.72336000 4.70000000 2.35000000 Mn 7.05000000 9.07664000 4.70000000 O 8.22500000 7.87720000 3.76000000 O 10.34000000 10.57500000 3.17720000 O 7.87720000 10.34000000 3.52500000 Fe 11.75000000 2.35000000 11.75000000 Fe 7.05000000 2.35000000 11.75000000 Fe 11.75000000 2.35000000 7.05000000 Mn 9.40000000 2.35000000 9.07664000 Mn 4.70000000 2.35000000 9.72336000 Mn 9.07664000 4.70000000 7.05000000 O 7.87720000 3.76000000 8.22500000 O 10.57500000 3.17720000 10.34000000 O 10.34000000 3.52500000 7.87720000 Fe 11.75000000 7.05000000 7.05000000 Mn 9.40000000 7.05000000 5.02336000 Mn 11.75000000 5.02336000 4.70000000 Mn 11.75000000 4.37664000 9.40000000 O 10.57500000 6.22280000 3.76000000 O 10.92280000 3.76000000 3.52500000 O 10.34000000 5.87500000 6.22280000 Fe 2.35000000 11.75000000 11.75000000 Fe 2.35000000 7.05000000 11.75000000 Fe 2.35000000 11.75000000 7.05000000 Mn 2.35000000 9.07664000 9.40000000 Mn 2.35000000 9.72336000 4.70000000 Mn 4.70000000 7.05000000 9.07664000 O 3.17720000 10.34000000 10.57500000 O 3.76000000 8.22500000 7.87720000 O 3.52500000 7.87720000 10.34000000 Fe 7.05000000 11.75000000 7.05000000 Mn 5.02336000 9.40000000 7.05000000 Mn 4.70000000 11.75000000 5.02336000 Mn 9.40000000 11.75000000 4.37664000 O 3.76000000 10.57500000 6.22280000 O 6.22280000 10.34000000 5.87500000 O 3.52500000 10.92280000 3.76000000 Fe 7.05000000 7.05000000 11.75000000 Mn 7.05000000 5.02336000 9.40000000 Mn 5.02336000 4.70000000 11.75000000 Mn 4.37664000 9.40000000 11.75000000 O 6.22280000 3.76000000 10.57500000 O 5.87500000 6.22280000 10.34000000 O 3.76000000 3.52500000 10.92280000 Fe 11.75000000 11.75000000 11.75000000 Fe 7.05000000 11.75000000 11.75000000 Fe 11.75000000 7.05000000 11.75000000 Fe 11.75000000 11.75000000 7.05000000 Mn 9.07664000 9.40000000 11.75000000 Mn 9.72336000 4.70000000 11.75000000 Mn 11.75000000 9.07664000 9.40000000 Mn 11.75000000 9.72336000 4.70000000 Mn 9.40000000 11.75000000 9.07664000 Mn 4.70000000 11.75000000 9.72336000 Mn 9.72336000 9.40000000 7.05000000 Mn 7.05000000 9.72336000 9.40000000 Mn 9.40000000 7.05000000 9.72336000 O 10.92280000 8.46000000 5.87500000 O 10.92280000 10.34000000 8.22500000 O 5.87500000 10.92280000 8.46000000 O 8.22500000 10.92280000 10.34000000 O 8.46000000 5.87500000 10.92280000 O 10.34000000 8.22500000 10.92280000 O 6.22280000 8.46000000 8.22500000 O 7.87720000 8.46000000 10.57500000 O 10.92280000 5.64000000 10.57500000 O 8.22500000 6.22280000 8.46000000 O 10.57500000 7.87720000 8.46000000 O 10.57500000 10.92280000 5.64000000 O 8.46000000 8.22500000 6.22280000 O 8.46000000 10.57500000 7.87720000 O 5.64000000 10.57500000 10.92280000 **************************************** Primitive vectors a(1) = -4.70000000 4.70000000 4.70000000 a(2) = 4.70000000 -4.70000000 4.70000000 a(3) = 4.70000000 4.70000000 -4.70000000 Volume = 415.29200000 Reciprocal vectors b(1) = 0.00000000 0.10638298 0.10638298 b(2) = 0.10638298 0.00000000 0.10638298 b(3) = 0.10638298 0.10638298 0.00000000 Basis Vectors: Atom Lattice Coordinates Cartesian Coordinates Fe 0.50000000 0.50000000 0.50000000 2.35000000 2.35000000 2.35000000 Fe 0.50000000 0.00000000 0.00000000 -2.35000000 2.35000000 2.35000000 Fe 0.00000000 0.50000000 0.00000000 2.35000000 -2.35000000 2.35000000 Fe 0.00000000 0.00000000 0.50000000 2.35000000 2.35000000 -2.35000000 Mn 0.25000000 0.21560000 -0.03440000 -0.32336000 0.00000000 2.35000000 Mn -0.25000000 0.28440000 -0.46560000 0.32336000 -4.70000000 2.35000000 Mn -0.03440000 0.25000000 0.21560000 2.35000000 -0.32336000 0.00000000 Mn -0.46560000 -0.25000000 0.28440000 2.35000000 0.32336000 -4.70000000 Mn 0.21560000 -0.03440000 0.25000000 0.00000000 2.35000000 -0.32336000 Mn 0.28440000 -0.46560000 -0.25000000 -4.70000000 2.35000000 0.32336000 Mn -0.25000000 -0.21560000 0.03440000 0.32336000 0.00000000 -2.35000000 Mn 0.25000000 -0.28440000 0.46560000 -0.32336000 4.70000000 -2.35000000 Mn 0.03440000 -0.25000000 -0.21560000 -2.35000000 0.32336000 0.00000000 Mn 0.46560000 0.25000000 -0.28440000 -2.35000000 -0.32336000 4.70000000 Mn -0.21560000 0.03440000 -0.25000000 0.00000000 -2.35000000 0.32336000 Mn -0.28440000 0.46560000 0.25000000 4.70000000 -2.35000000 -0.32336000 O 0.22500000 0.46300000 0.43800000 3.17720000 0.94000000 1.17500000 O -0.47500000 -0.21300000 0.06200000 1.52280000 -0.94000000 -3.52500000 O -0.02500000 0.03700000 0.26200000 1.52280000 0.94000000 -1.17500000 O 0.27500000 -0.28700000 0.23800000 -1.52280000 3.76000000 -1.17500000 O 0.43800000 0.22500000 0.46300000 1.17500000 3.17720000 0.94000000 O 0.06200000 -0.47500000 -0.21300000 -3.52500000 1.52280000 -0.94000000 O 0.26200000 -0.02500000 0.03700000 -1.17500000 1.52280000 0.94000000 O 0.23800000 0.27500000 -0.28700000 -1.17500000 -1.52280000 3.76000000 O 0.46300000 0.43800000 0.22500000 0.94000000 1.17500000 3.17720000 O -0.21300000 0.06200000 -0.47500000 -0.94000000 -3.52500000 1.52280000 O 0.03700000 0.26200000 -0.02500000 0.94000000 -1.17500000 1.52280000 O -0.28700000 0.23800000 0.27500000 3.76000000 -1.17500000 -1.52280000 O -0.22500000 -0.46300000 -0.43800000 -3.17720000 -0.94000000 -1.17500000 O 0.47500000 0.21300000 -0.06200000 -1.52280000 0.94000000 3.52500000 O 0.02500000 -0.03700000 -0.26200000 -1.52280000 -0.94000000 1.17500000 O -0.27500000 0.28700000 -0.23800000 1.52280000 -3.76000000 1.17500000 O -0.43800000 -0.22500000 -0.46300000 -1.17500000 -3.17720000 -0.94000000 O -0.06200000 0.47500000 0.21300000 3.52500000 -1.52280000 0.94000000 O -0.26200000 0.02500000 -0.03700000 1.17500000 -1.52280000 -0.94000000 O -0.23800000 -0.27500000 0.28700000 1.17500000 1.52280000 -3.76000000 O -0.46300000 -0.43800000 -0.22500000 -0.94000000 -1.17500000 -3.17720000 O 0.21300000 -0.06200000 0.47500000 0.94000000 3.52500000 -1.52280000 O -0.03700000 -0.26200000 0.02500000 -0.94000000 1.17500000 -1.52280000 O 0.28700000 -0.23800000 -0.27500000 -3.76000000 1.17500000 1.52280000