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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr2SmBeO5 by Materials Project

Sr2BeSmO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.91 Å. Be is bonded in a tetrahedral geometry to four O atoms. There are a spread of Be–O bond distances ranging from 1.65–1.69 Å. Sm is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.41–2.93 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four equivalent Sr, one Be, and one Sm atom. In the second O site, O is bonded in a 6-coordinate geometry to four equivalent Sr and two equivalent Sm atoms. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sr, one Be, and two equivalent Sm atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to four equivalent Sr, one Be, and one Sm atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSm2BeO5 by Materials Project

SrBeSm2O5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.52–2.86 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Be–O bond distances ranging from 1.61–1.71 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.93 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.43–2.84 Å. There are five 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 Sm3+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four Sm3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Be2+, and three Sm3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Be2+, and four Sm3+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sr2+, one Be2+, and three Sm3+ atoms.

36 MATERIALS SCIENCE↗