Materials Data on Mn2Nb9Ge8 by Materials Project
Nb9Mn2Ge8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are seven inequivalent Nb sites. In the first Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted face and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.80–2.94 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.64–3.04 Å. In the third Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted edge and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.66–2.91 Å. In the fourth Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.65–2.71 Å. In the fifth Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.69–2.74 Å. In the sixth Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.62–3.06 Å. In the seventh Nb site, Nb is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing NbGe7 pentagonal bipyramids. There are a spread of Nb–Ge bond distances ranging from 2.64–2.86 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.56–2.83 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.53–2.81 Å. There are seven inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Nb atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Mn atom. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Nb and two equivalent Mn atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to five Nb, two Mn, and two equivalent Ge atoms. There are one shorter (2.64 Å) and one longer (2.70 Å) Ge–Ge bond lengths. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to seven Nb and two Mn atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to six Nb and two equivalent Mn atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Mn atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1273748
- Report Number(s):
- mp-567194
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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