Materials Data on Mo2Cl4O by Materials Project
Mo2OCl4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to one O2- and four Cl1- atoms to form distorted corner-sharing MoCl4O trigonal bipyramids. The Mo–O bond length is 1.97 Å. There are a spread of Mo–Cl bond distances ranging from 2.48–2.55 Å. In the second Mo3+ site, Mo3+ is bonded to one O2- and four Cl1- atoms to form distorted corner-sharing MoCl4O trigonal bipyramids. The Mo–O bond length is 1.97 Å. There are a spread of Mo–Cl bond distances ranging from 2.48–2.56 Å. O2- is bonded in a bent 120 degrees geometry to two Mo3+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Mo3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two Mo3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two Mo3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a bent 150 degrees geometry to two Mo3+ atoms.
- 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:
- 1284509
- Report Number(s):
- mp-690522
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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