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DOE OSTI2020

Materials Data on Ca(MnGe)2 by Materials Project

CaMn2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Ca–Ge bond lengths are 3.14 Å. Mn is bonded to four equivalent Ge atoms to form a mixture of edge and corner-sharing MnGe4 tetrahedra. All Mn–Ge bond lengths are 2.44 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.73 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CaMnGe by Materials Project

CaMnGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to four equivalent Mn and five equivalent Ge atoms. All Ca–Mn bond lengths are 3.22 Å. There are four shorter (3.01 Å) and one longer (3.51 Å) Ca–Ge bond lengths. Mn is bonded to four equivalent Ca and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing MnCa4Ge4 tetrahedra. All Mn–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗