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Results for “Cr-N-Sr”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3CrN3 by Materials Project

Sr3CrN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sr2+ is bonded to five equivalent N3- atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.68–2.95 Å. Cr3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Cr–N bond lengths are 1.73 Å. N3- is bonded to five equivalent Sr2+ and one Cr3+ atom to form a mixture of distorted corner and edge-sharing NSr5Cr octahedra. The corner-sharing octahedra tilt angles range from 23–42°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3CrN4 by Materials Project

Sr3CrN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.51–2.98 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.59–3.04 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.55–2.92 Å. Cr6+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Cr–N bond distances ranging from 1.74–1.77 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to four Sr2+ and one Cr6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the third N3- site, N3- is bonded in a 5-coordinate geometry to four Sr2+ and one Cr6+ atom. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to five Sr2+ and one Cr6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3(CrN2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(CrN2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr7CrN6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗