Materials Data on GaNi4Ge3 by Materials Project

Ni4GaGe3 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.64 Å. Both Ni–Ga bond lengths are 2.43 Å. There are a spread of Ni–Ge bond distances ranging from 2.41–2.47 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, one Ga, and six Ge atoms. There are two shorter (2.62 Å) and one longer (2.63 Å) Ni–Ni bond lengths. The Ni–Ga bond length is 2.93 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.50 Å. In the third Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. The Ni–Ni bond length is 2.67 Å. Both Ni–Ga bond lengths are 2.45 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.48 Å. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. Both Ni–Ga bond lengths are 2.40 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.43 Å. Ga is bonded in a 10-coordinate geometry to seven Ni and three Ge atoms. There are one shorter (2.86 Å) and two longer (2.97 Å) Ga–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Ni and two equivalent Ga atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Ni and one Ga atom. In the third Ge site, Ge is bonded in a 6-coordinate geometry to six Ni atoms.