Materials Data on VSb2NCl14 by Materials Project
VSb2NCl14 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four VSb2NCl14 clusters. V5+ is bonded in a 6-coordinate geometry to one N3+ and five Cl1- atoms. The V–N bond length is 1.66 Å. There are a spread of V–Cl bond distances ranging from 2.19–2.65 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.34–2.72 Å. In the second Sb3+ site, Sb3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.34–2.61 Å. N3+ is bonded in a distorted linear geometry to one V5+ and one Cl1- atom. The N–Cl bond length is 1.58 Å. There are fourteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one V5+ and one Sb3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to one V5+ and one Sb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one N3+ atom. In the sixth Cl1- site, Cl1- is bonded in a water-like geometry to one V5+ and one Sb3+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one V5+ atom. In the ninth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the eleventh Cl1- site, Cl1- is bonded in a distorted water-like geometry to one V5+ and one Sb3+ atom. In the twelfth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the thirteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ 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:
- 1281096
- Report Number(s):
- mp-651728
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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