Materials Data on TaCl5 by Materials Project
TaCl5 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of six TaCl5 clusters. Ta5+ is bonded to six Cl1- atoms to form edge-sharing TaCl6 octahedra. There are a spread of Ta–Cl bond distances ranging from 2.28–2.57 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Ta5+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Ta5+ atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ta5+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1204282
- Report Number(s):
- mp-29831
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on TaTeCl9 by Materials Project
Materials Data on CsTaCl6 by Materials Project
Materials Data on TaTlCl6 by Materials Project
Dataset
·
Fri May 01 00:00:00 EDT 2020
·
OSTI ID:1281583
Materials Data on CsTaCl6 by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1684512
Materials Data on TaTlCl6 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1674246