Materials Data on La3Si2ClO8 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1270593· OSTI ID:1270593

La3Si2O8Cl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.61–2.70 Å. The La–Cl bond length is 2.99 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to eight O2- and one Cl1- atom. There are a spread of La–O bond distances ranging from 2.48–2.92 Å. The La–Cl bond length is 2.93 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three La3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent La3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Si4+ atom. Cl1- is bonded in a 3-coordinate geometry to three La3+ atoms.

• 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: 1270593
• Report Number(s): mp-558985
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cl-La-O-Si
La3Si2ClO8
crystal structure