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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 Er4I5 by Materials Project

Er4I5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to four I atoms. There are a spread of Er–I bond distances ranging from 3.08–3.31 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Er–I bond distances ranging from 3.08–3.46 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to four Er atoms. In the third I site, I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er6I7 by Materials Project

Er6I7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to four I atoms. There are a spread of Er–I bond distances ranging from 2.99–3.29 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to three I atoms. There are two shorter (3.20 Å) and one longer (3.27 Å) Er–I bond lengths. In the third Er site, Er is bonded in a 4-coordinate geometry to five I atoms. There are a spread of Er–I bond distances ranging from 3.04–3.88 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to four Er atoms. In the third I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the fourth I site, I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErI3 by Materials Project

ErI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two ErI3 ribbons oriented in the (0, 0, 1) direction. Er3+ is bonded to six equivalent I1- atoms to form distorted face-sharing ErI6 pentagonal pyramids. All Er–I bond lengths are 3.05 Å. I1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YEr3 by Materials Project

Er3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.48–3.62 Å. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. In the second Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are one shorter (3.57 Å) and one longer (3.62 Å) Er–Er bond lengths. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. Y is bonded to twelve Er atoms to form YEr12 cuboctahedra that share corners with six equivalent YEr12 cuboctahedra, corners with twelve ErY4Er8 cuboctahedra, edges with eighteen ErY4Er8 cuboctahedra, faces with eight equivalent YEr12 cuboctahedra, and faces with twelve ErY4Er8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Er by Materials Project

ErY3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Y atoms to form ErY12 cuboctahedra that share corners with six equivalent ErY12 cuboctahedra, corners with twelve equivalent YY8Er4 cuboctahedra, edges with eighteen equivalent YY8Er4 cuboctahedra, faces with eight equivalent ErY12 cuboctahedra, and faces with twelve equivalent YY8Er4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.63 Å) Er–Y bond lengths. Y is bonded to four equivalent Er and eight equivalent Y atoms to form YY8Er4 cuboctahedra that share corners with four equivalent ErY12 cuboctahedra, corners with fourteen equivalent YY8Er4 cuboctahedra, edges with six equivalent ErY12 cuboctahedra, edges with twelve equivalent YY8Er4 cuboctahedra, faces with four equivalent ErY12 cuboctahedra, and faces with sixteen equivalent YY8Er4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.53–3.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YEr by Materials Project

ErY is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Er is bonded to six equivalent Er and six equivalent Y atoms to form ErY6Er6 cuboctahedra that share corners with eighteen equivalent ErY6Er6 cuboctahedra, edges with six equivalent ErY6Er6 cuboctahedra, edges with twelve equivalent YY6Er6 cuboctahedra, faces with eight equivalent ErY6Er6 cuboctahedra, and faces with twelve equivalent YY6Er6 cuboctahedra. All Er–Er bond lengths are 3.59 Å. All Er–Y bond lengths are 3.54 Å. Y is bonded to six equivalent Er and six equivalent Y atoms to form YY6Er6 cuboctahedra that share corners with eighteen equivalent YY6Er6 cuboctahedra, edges with six equivalent YY6Er6 cuboctahedra, edges with twelve equivalent ErY6Er6 cuboctahedra, faces with eight equivalent YY6Er6 cuboctahedra, and faces with twelve equivalent ErY6Er6 cuboctahedra. All Y–Y bond lengths are 3.59 Å.

36 MATERIALS SCIENCE↗