Materials Data on BaSrLa4Be2O10 by Materials Project

Abstract

BaSrBe2La4O10 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.62–2.98 Å. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.94 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.63–1.72 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.64–1.72 Å. There are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.69 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–3.02 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.95 Å. In the fourth La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.95 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+, one Be2+, and three La3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+, one Be2+, and three La3+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Ba2+, one Sr2+, and four La3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Ba2+, one Sr2+, and three La3+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Sr2+, one Be2+, and three La3+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Sr2+, one Be2+, and three La3+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, one Be2+, and four La3+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sr2+, one Be2+, and three La3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Ba2+, one Sr2+, one Be2+, and three La3+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+, one Be2+, and four La3+ atoms.