Materials Data on BaGe7N10 by Materials Project
BaGe7N10 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ba2+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (2.83 Å) and one longer (2.94 Å) Ba–N bond lengths. There are seven inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.80–1.92 Å. In the second Ge4+ site, Ge4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.79–1.90 Å. In the third Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.81–1.89 Å. In the fourth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.83–1.88 Å. In the fifth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.81–1.92 Å. In the sixth Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There are a spread of Ge–N bond distances ranging from 1.84–1.86 Å. In the seventh Ge4+ site, Ge4+ is bonded to four N3- atoms to form corner-sharing GeN4 tetrahedra. There is two shorter (1.84 Å) and two longer (1.86 Å) Ge–N bond length. There are ten inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to three Ge4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one Ba2+ and two Ge4+ atoms. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three Ge4+ atoms. In the fifth N3- site, N3- is bonded in a 3-coordinate geometry to three Ge4+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to one Ba2+ and two Ge4+ atoms. In the seventh N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the eighth N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms. In the ninth N3- site, N3- is bonded in a distorted trigonal planar geometry to three Ge4+ atoms. In the tenth N3- site, N3- is bonded in a trigonal planar geometry to three Ge4+ atoms.