Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Yb”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Yb4Br6O by Materials Project

Yb4OBr6 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a distorted single-bond geometry to one O2- and seven Br1- atoms. The Yb–O bond length is 2.24 Å. There are a spread of Yb–Br bond distances ranging from 2.95–3.25 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted single-bond geometry to one O2- and six Br1- atoms. The Yb–O bond length is 2.22 Å. There are three shorter (3.03 Å) and three longer (3.21 Å) Yb–Br bond lengths. O2- is bonded in a tetrahedral geometry to four Yb2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four Yb2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to five Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbZn11 by Materials Project

YbZn11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eighteen Zn atoms. There are eight shorter (3.27 Å) and ten longer (3.42 Å) Yb–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Yb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–3.00 Å. In the second Zn site, Zn is bonded in a 6-coordinate geometry to two equivalent Yb and twelve Zn atoms. All Zn–Zn bond lengths are 2.80 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCd3 by Materials Project

YbCd3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a distorted body-centered cubic geometry to fourteen Cd atoms. There are eight shorter (3.13 Å) and six longer (3.62 Å) Yb–Cd bond lengths. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four equivalent Yb and four equivalent Cd atoms to form a mixture of distorted edge, face, and corner-sharing CdYb4Cd4 tetrahedra. All Cd–Cd bond lengths are 3.13 Å. In the second Cd site, Cd is bonded in a 8-coordinate geometry to six equivalent Yb and eight equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3SiO by Materials Project

Yb3SiO is (Cubic) Perovskite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent Si4- and two equivalent O2- atoms. There are a spread of Yb–Si bond distances ranging from 3.17–3.42 Å. Both Yb–O bond lengths are 2.33 Å. In the second Yb2+ site, Yb2+ is bonded in a linear geometry to four equivalent Si4- and two equivalent O2- atoms. There are a spread of Yb–Si bond distances ranging from 3.20–3.38 Å. Both Yb–O bond lengths are 2.33 Å. Si4- is bonded to twelve Yb2+ atoms to form SiYb12 cuboctahedra that share corners with twelve equivalent SiYb12 cuboctahedra, faces with six equivalent SiYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O2- is bonded to six Yb2+ atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent SiYb12 cuboctahedra. The corner-sharing octahedra tilt angles range from 5–6°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSm3 by Materials Project

YbSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Sm atoms to form YbSm12 cuboctahedra that share corners with four equivalent YbSm12 cuboctahedra, corners with eight equivalent SmYb4Sm8 cuboctahedra, edges with eight equivalent YbSm12 cuboctahedra, edges with sixteen equivalent SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with fourteen SmYb4Sm8 cuboctahedra. There are four shorter (3.65 Å) and eight longer (3.66 Å) Yb–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Yb and eight Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with twelve equivalent SmYb4Sm8 cuboctahedra, edges with eight equivalent YbSm12 cuboctahedra, edges with sixteen SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with fourteen SmYb4Sm8 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.66 Å) Sm–Sm bond lengths. In the second Sm site, Sm is bonded to four equivalent Yb and eight equivalent Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent SmYb4Sm8 cuboctahedra, corners with eight equivalent YbSm12 cuboctahedra, edges with twenty-four SmYb4Sm8 cuboctahedra, faces with six equivalent YbSm12 cuboctahedra, and faces with twelve SmYb4Sm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Yb2O5 by Materials Project

Rb2Yb2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Rb–O bond lengths are 3.00 Å. In the second Rb site, Rb is bonded to twelve O atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent YbO5 square pyramids. There are four shorter (3.12 Å) and eight longer (3.45 Å) Rb–O bond lengths. Yb is bonded to five O atoms to form distorted YbO5 square pyramids that share corners with five equivalent YbO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.20 Å) and four longer (2.26 Å) Yb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to four Rb and two equivalent Yb atoms. In the second O site, O is bonded to four equivalent Rb and two equivalent Yb atoms to form a mixture of distorted edge and corner-sharing ORb4Yb2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbEr3 by Materials Project

YbEr3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Er atoms to form YbEr12 cuboctahedra that share corners with four equivalent YbEr12 cuboctahedra, corners with eight equivalent ErYb4Er8 cuboctahedra, edges with eight equivalent YbEr12 cuboctahedra, edges with sixteen equivalent ErYb4Er8 cuboctahedra, faces with four equivalent YbEr12 cuboctahedra, and faces with fourteen ErYb4Er8 cuboctahedra. There are four shorter (3.55 Å) and eight longer (3.57 Å) Yb–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Yb and eight Er atoms to form ErYb4Er8 cuboctahedra that share corners with twelve equivalent ErYb4Er8 cuboctahedra, edges with eight equivalent YbEr12 cuboctahedra, edges with sixteen ErYb4Er8 cuboctahedra, faces with four equivalent YbEr12 cuboctahedra, and faces with fourteen ErYb4Er8 cuboctahedra. There are four shorter (3.55 Å) and four longer (3.57 Å) Er–Er bond lengths. In the second Er site, Er is bonded to four equivalent Yb and eight equivalent Er atoms to form ErYb4Er8 cuboctahedra that share corners with four equivalent ErYb4Er8 cuboctahedra, corners with eight equivalent YbEr12 cuboctahedra, edges with twenty-four ErYb4Er8 cuboctahedra, faces with six equivalent YbEr12 cuboctahedra, and faces with twelve ErYb4Er8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbNd3 by Materials Project

YbNd3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Nd atoms to form YbNd12 cuboctahedra that share corners with six equivalent YbNd12 cuboctahedra, corners with twelve NdYb4Nd8 cuboctahedra, edges with eighteen NdYb4Nd8 cuboctahedra, faces with eight equivalent YbNd12 cuboctahedra, and faces with twelve NdYb4Nd8 cuboctahedra. There are six shorter (3.69 Å) and six longer (3.71 Å) Yb–Nd bond lengths. There are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Yb and eight equivalent Nd atoms to form NdYb4Nd8 cuboctahedra that share corners with four equivalent YbNd12 cuboctahedra, corners with fourteen equivalent NdYb4Nd8 cuboctahedra, edges with six equivalent YbNd12 cuboctahedra, edges with twelve equivalent NdYb4Nd8 cuboctahedra, faces with four equivalent YbNd12 cuboctahedra, and faces with sixteen NdYb4Nd8 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.65–3.76 Å. In the second Nd site, Nd is bonded to four equivalent Yb and eight equivalent Nd atoms to form NdYb4Nd8 cuboctahedra that share corners with four equivalent YbNd12 cuboctahedra, corners with fourteen NdYb4Nd8 cuboctahedra, edges with six equivalent YbNd12 cuboctahedra, edges with twelve equivalent NdYb4Nd8 cuboctahedra, faces with four equivalent YbNd12 cuboctahedra, and faces with sixteen NdYb4Nd8 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.65–3.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbBi2 by Materials Project

YbBi2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.35–3.67 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Yb and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.21 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Yb by Materials Project

YbLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve La atoms to form YbLa12 cuboctahedra that share corners with four equivalent YbLa12 cuboctahedra, corners with eight equivalent LaLa8Yb4 cuboctahedra, edges with eight equivalent YbLa12 cuboctahedra, edges with sixteen equivalent LaLa8Yb4 cuboctahedra, faces with four equivalent YbLa12 cuboctahedra, and faces with fourteen LaLa8Yb4 cuboctahedra. There are four shorter (3.74 Å) and eight longer (3.75 Å) Yb–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Yb and eight La atoms to form LaLa8Yb4 cuboctahedra that share corners with twelve equivalent LaLa8Yb4 cuboctahedra, edges with eight equivalent YbLa12 cuboctahedra, edges with sixteen LaLa8Yb4 cuboctahedra, faces with four equivalent YbLa12 cuboctahedra, and faces with fourteen LaLa8Yb4 cuboctahedra. There are four shorter (3.74 Å) and four longer (3.75 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Yb and eight equivalent La atoms to form LaLa8Yb4 cuboctahedra that share corners with four equivalent LaLa8Yb4 cuboctahedra, corners with eight equivalent YbLa12 cuboctahedra, edges with twenty-four LaLa8Yb4 cuboctahedra, faces with six equivalent YbLa12 cuboctahedra, and faces with twelve LaLa8Yb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPrCo17 by Materials Project

YbPrCo17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Yb–Co bond distances ranging from 2.96–3.23 Å. Pr is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Pr–Co bond distances ranging from 2.93–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.65 Å. In the second Co site, Co is bonded to two equivalent Yb, one Pr, and nine Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYb2PrCo9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.40–2.60 Å. In the third Co site, Co is bonded to two equivalent Pr and ten Co atoms to form a mixture of corner, edge, and face-sharing CoPr2Co10 cuboctahedra. All Co–Co bond lengths are 2.41 Å. In the fourth Co site, Co is bonded to one Yb, one Pr, and ten Co atoms to form a mixture of distorted corner, edge, and face-sharing CoYbPrCo10 cuboctahedra. There are one shorter (2.32 Å) and one longer (2.45 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3YbB2(PO7)2 by Materials Project

K3YbB2(PO7)2 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in an octahedral geometry to six equivalent O atoms. All K–O bond lengths are 2.79 Å. In the second K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.11 Å. In the third K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.86–3.11 Å. Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six PO4 tetrahedra. All Yb–O bond lengths are 2.28 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three equivalent O atoms. All B–O bond lengths are 1.37 Å. In the second B site, B is bonded in a trigonal planar geometry to three equivalent O atoms. All B–O bond lengths are 1.37 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is three shorter (1.53 Å) and one longer (1.59 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There is three shorter (1.54 Å) and one longer (1.59 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two K and one B atom. In the second O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Yb, and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Yb, and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one P atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbP3(HO)6 by Materials Project

Yb(H2PO2)3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Yb(H2PO2)3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six PH2O2 tetrahedra. There are two shorter (2.31 Å) and four longer (2.32 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six PH2O2 tetrahedra. There are four shorter (2.30 Å) and two longer (2.33 Å) Yb–O bond lengths. There are three inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded to two H+0.33+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 32°. Both P–H bond lengths are 1.43 Å. Both P–O bond lengths are 1.52 Å. In the second P+2.33+ site, P+2.33+ is bonded to two H+0.33+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is one shorter (1.42 Å) and one longer (1.43 Å) P–H bond length. Both P–O bond lengths are 1.52 Å. In the third P+2.33+ site, P+2.33+ is bonded to two equivalent H+0.33+ and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with two YbO6 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. Both P–H bond lengths are 1.43 Å. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. There are five inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCd2 by Materials Project

YbCd2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to twelve Cd atoms. There are a spread of Yb–Cd bond distances ranging from 3.48–3.53 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to six equivalent Yb and six equivalent Cd atoms to form a mixture of edge, face, and corner-sharing CdYb6Cd6 cuboctahedra. All Cd–Cd bond lengths are 3.05 Å. In the second Cd site, Cd is bonded to six equivalent Yb and six Cd atoms to form a mixture of edge, face, and corner-sharing CdYb6Cd6 cuboctahedra. There are two shorter (2.91 Å) and two longer (3.04 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbDy3 by Materials Project

YbDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Dy atoms to form YbDy12 cuboctahedra that share corners with four equivalent YbDy12 cuboctahedra, corners with eight equivalent DyYb4Dy8 cuboctahedra, edges with eight equivalent YbDy12 cuboctahedra, edges with sixteen equivalent DyYb4Dy8 cuboctahedra, faces with four equivalent YbDy12 cuboctahedra, and faces with fourteen DyYb4Dy8 cuboctahedra. All Yb–Dy bond lengths are 3.58 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Yb and eight Dy atoms to form DyYb4Dy8 cuboctahedra that share corners with twelve equivalent DyYb4Dy8 cuboctahedra, edges with eight equivalent YbDy12 cuboctahedra, edges with sixteen DyYb4Dy8 cuboctahedra, faces with four equivalent YbDy12 cuboctahedra, and faces with fourteen DyYb4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to four equivalent Yb and eight equivalent Dy atoms to form DyYb4Dy8 cuboctahedra that share corners with four equivalent DyYb4Dy8 cuboctahedra, corners with eight equivalent YbDy12 cuboctahedra, edges with twenty-four DyYb4Dy8 cuboctahedra, faces with six equivalent YbDy12 cuboctahedra, and faces with twelve DyYb4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Fe3S8 by Materials Project

Yb3Fe3S8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb+2.33+ is bonded to six S2- atoms to form YbS6 octahedra that share corners with six equivalent FeS4 tetrahedra, edges with two equivalent FeS6 octahedra, and edges with four equivalent YbS6 octahedra. There are two shorter (2.72 Å) and four longer (2.77 Å) Yb–S bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to four S2- atoms to form FeS4 tetrahedra that share corners with three equivalent FeS6 octahedra and corners with nine equivalent YbS6 octahedra. The corner-sharing octahedra tilt angles range from 49–59°. There are one shorter (2.18 Å) and three longer (2.32 Å) Fe–S bond lengths. In the second Fe3+ site, Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent FeS4 tetrahedra and edges with six equivalent YbS6 octahedra. All Fe–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three equivalent Yb+2.33+ and one Fe3+ atom. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to two equivalent Yb+2.33+ and two Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbPm3 by Materials Project

YbPm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Pm atoms to form YbPm12 cuboctahedra that share corners with four equivalent YbPm12 cuboctahedra, corners with eight equivalent PmYb4Pm8 cuboctahedra, edges with eight equivalent YbPm12 cuboctahedra, edges with sixteen equivalent PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with fourteen PmYb4Pm8 cuboctahedra. All Yb–Pm bond lengths are 3.67 Å. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to four equivalent Yb and eight Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with twelve equivalent PmYb4Pm8 cuboctahedra, edges with eight equivalent YbPm12 cuboctahedra, edges with sixteen PmYb4Pm8 cuboctahedra, faces with four equivalent YbPm12 cuboctahedra, and faces with fourteen PmYb4Pm8 cuboctahedra. All Pm–Pm bond lengths are 3.67 Å. In the second Pm site, Pm is bonded to four equivalent Yb and eight equivalent Pm atoms to form PmYb4Pm8 cuboctahedra that share corners with four equivalent PmYb4Pm8 cuboctahedra, corners with eight equivalent YbPm12 cuboctahedra, edges with twenty-four PmYb4Pm8 cuboctahedra, faces with six equivalent YbPm12 cuboctahedra, and faces with twelve PmYb4Pm8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbYAl6 by Materials Project

YbYAl6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve Al atoms to form YbAl12 cuboctahedra that share corners with six equivalent YbAl12 cuboctahedra, corners with twelve equivalent AlYb2Y2Al8 cuboctahedra, edges with six equivalent AlYb2Y2Al8 cuboctahedra, faces with two equivalent YbAl12 cuboctahedra, faces with six equivalent YAl12 cuboctahedra, and faces with six equivalent AlYb2Y2Al8 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Yb–Al bond lengths. Y is bonded to twelve Al atoms to form YAl12 cuboctahedra that share corners with twelve equivalent YAl12 cuboctahedra, edges with twelve equivalent AlYb2Y2Al8 cuboctahedra, faces with six equivalent YbAl12 cuboctahedra, and faces with six equivalent AlYb2Y2Al8 cuboctahedra. There are six shorter (3.00 Å) and six longer (3.04 Å) Y–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to two equivalent Yb, two equivalent Y, and eight Al atoms to form distorted AlYb2Y2Al8 cuboctahedra that share corners with four equivalent YbAl12 cuboctahedra, corners with fourteen equivalent AlYb2Y2Al8 cuboctahedra, edges with two equivalent YbAl12 cuboctahedra, edges with four equivalent YAl12 cuboctahedra, edges with four equivalent AlYb2Y2Al8 cuboctahedra, faces with two equivalent YbAl12 cuboctahedra, faces with two equivalent YAl12 cuboctahedra, and faces with six equivalent AlYb2Y2Al8 cuboctahedra. There are four shorter (2.97 Å) and four longer (3.04 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Y, and six Al atoms. Both Al–Al bond lengths are 2.84 Å.

36 MATERIALS SCIENCE↗