Materials Data on Ba2MnZn2(AsO)2 by Materials Project
Ba2MnZn2As2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ba–As bond lengths are 3.46 Å. All Ba–O bond lengths are 2.79 Å. Mn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.14 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.61 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Mn2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.