Materials Data on Se2Cl2O5 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1319596· OSTI ID:1319596

The Materials Project

Se2O5Cl2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Se2O5Cl2 sheets oriented in the (0, 0, 1) direction. Se6+ is bonded in a 6-coordinate geometry to five O2- and one Cl1- atom. There is one shorter (1.82 Å) and four longer (1.88 Å) Se–O bond length. The Se–Cl bond length is 2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Se6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Se6+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Se6+ 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: 1319596
• Report Number(s): mvc-15968
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Se2Cl2O5
Cl-O-Se