Materials Data on Ge23Mo13 by Materials Project
Mo13Ge23 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. there are fourteen inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (2.64 Å) and four longer (2.66 Å) Mo–Ge bond lengths. In the second Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.63–2.67 Å. In the third Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.57–2.82 Å. In the fourth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.58–2.79 Å. In the fifth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.54–2.88 Å. In the sixth Mo site, Mo is bonded in a 10-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.54–2.99 Å. In the seventh Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.59–2.76 Å. In the eighth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.62–2.68 Å. In the ninth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.60–2.73 Å. In the tenth Mo site, Mo is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.54–3.08 Å. In the eleventh Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.56–2.84 Å. In the twelfth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.53–2.91 Å. In the thirteenth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.54–2.86 Å. In the fourteenth Mo site, Mo is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.61–2.70 Å. There are twelve inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Mo and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.67–2.74 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four Mo and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to five Mo and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.70–2.91 Å. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to five Mo and three Ge atoms. The Ge–Ge bond length is 2.76 Å. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to four Mo and one Ge atom. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four Mo atoms. In the seventh Ge site, Ge is bonded in a 4-coordinate geometry to four Mo atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to five Mo and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the ninth Ge site, Ge is bonded in a 8-coordinate geometry to five Mo and three Ge atoms. There are one shorter (2.67 Å) and one longer (2.79 Å) Ge–Ge bond lengths. In the tenth Ge site, Ge is bonded in a 8-coordinate geometry to five Mo and three Ge atoms. The Ge–Ge bond length is 2.84 Å. In the eleventh Ge site, Ge is bonded in a 4-coordinate geometry to four Mo atoms. In the twelfth Ge site, Ge is bonded in a 2-coordinate geometry to five Mo and three Ge atoms. The Ge–Ge bond length is 2.73 Å.
- 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:
- 1275330
- Report Number(s):
- mp-569901
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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