Materials Data on SeCl4 by Materials Project

Dataset · Wed Jun 04 00:00:00 EDT 2014

DOI:https://doi.org/10.17188/1281499· OSTI ID:1281499

The Materials Project

SeCl4 crystallizes in the cubic P-43n space group. The structure is zero-dimensional and consists of eight SeCl4 clusters. Se4+ is bonded to six Cl1- atoms to form distorted edge-sharing SeCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.20–2.92 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Se4+ atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ 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: 1281499
• Report Number(s): mp-667320
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SeCl4
Cl-Se