Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Y”

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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YMg2 by Materials Project

Mg2Y crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form MgY6Mg6 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with seven equivalent YY2Mg10 cuboctahedra, edges with eleven equivalent MgY4Mg8 cuboctahedra, faces with six equivalent YY2Mg10 cuboctahedra, and faces with fourteen MgY6Mg6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.27–3.39 Å. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Y atoms to form MgY4Mg8 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgY6Mg6 cuboctahedra, faces with eight equivalent YY2Mg10 cuboctahedra, and faces with twelve MgY6Mg6 cuboctahedra. There are two shorter (3.35 Å) and four longer (3.36 Å) Mg–Mg bond lengths. There are two shorter (3.36 Å) and two longer (3.40 Å) Mg–Y bond lengths. Y is bonded to ten Mg and two equivalent Y atoms to form YY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY6Mg6 cuboctahedra, edges with eight equivalent YY2Mg10 cuboctahedra, edges with ten MgY6Mg6 cuboctahedra, faces with six equivalent YY2Mg10 cuboctahedra, and faces with fourteen MgY6Mg6 cuboctahedra. Both Y–Y bond lengths are 3.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5Y2(SiO4)6 by Materials Project

Na5Y2(Si3O11)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two oxygen molecules and one Na5Y2(Si3O11)2 framework. In the Na5Y2(Si3O11)2 framework, there are three inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.31–2.69 Å. In the second Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.36–2.75 Å. In the third Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. Y is bonded to six O atoms to form YO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.25–2.34 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent YO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–54°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent YO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–42°. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent YO6 octahedra and corners with two SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–49°. There are a spread of Si–O bond distances ranging from 1.61–1.67 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Na, one Y, and one Si atom. In the third O site, O is bonded in a 4-coordinate geometry to two Na, one Y, and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na and two Si atoms. In the fifth O site, O is bonded in an L-shaped geometry to one Na and one O atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Na, one Y, and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Na and two Si atoms. In the eighth O site, O is bonded to two Na, one Y, and one Si atom to form distorted corner-sharing ONa2YSi tetrahedra. In the ninth O site, O is bonded in a distorted T-shaped geometry to one Na, one Y, and one Si atom. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Y and one Si atom. In the eleventh O site, O is bonded in a 3-coordinate geometry to one Na and two Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Al3Fe by Materials Project

Y2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, three equivalent Fe, and nine equivalent Al atoms. There are one shorter (3.31 Å) and three longer (3.35 Å) Y–Y bond lengths. All Y–Fe bond lengths are 3.22 Å. There are three shorter (3.16 Å) and six longer (3.21 Å) Y–Al bond lengths. Fe is bonded to six equivalent Y and six equivalent Al atoms to form FeY6Al6 cuboctahedra that share corners with six equivalent FeY6Al6 cuboctahedra, corners with twelve equivalent AlY6Al4Fe2 cuboctahedra, edges with six equivalent FeY6Al6 cuboctahedra, and faces with eighteen equivalent AlY6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Y, two equivalent Fe, and four equivalent Al atoms to form AlY6Al4Fe2 cuboctahedra that share corners with four equivalent FeY6Al6 cuboctahedra, corners with fourteen equivalent AlY6Al4Fe2 cuboctahedra, edges with six equivalent AlY6Al4Fe2 cuboctahedra, faces with six equivalent FeY6Al6 cuboctahedra, and faces with twelve equivalent AlY6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YZr2Co9 by Materials Project

YZr2Co9 is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four Zr and twelve Co atoms. There are three shorter (3.11 Å) and one longer (3.35 Å) Y–Zr bond lengths. There are a spread of Y–Co bond distances ranging from 2.81–3.05 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 9-coordinate geometry to three equivalent Y and twelve Co atoms. There are a spread of Zr–Co bond distances ranging from 2.77–3.11 Å. In the second Zr site, Zr is bonded in a distorted hexagonal planar geometry to one Y and eighteen Co atoms. There are a spread of Zr–Co bond distances ranging from 2.80–3.11 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Y, three Zr, and seven Co atoms to form distorted CoY2Zr3Co7 cuboctahedra that share corners with twenty-one CoY2Zr3Co7 cuboctahedra, edges with twelve CoZr3Co6 cuboctahedra, and faces with sixteen CoY2Zr3Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.50 Å. In the second Co site, Co is bonded to one Y, four Zr, and seven Co atoms to form distorted CoYZr4Co7 cuboctahedra that share corners with twenty-one CoY2Zr3Co7 cuboctahedra, edges with twelve CoZr3Co6 cuboctahedra, and faces with sixteen CoY2Zr3Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.47 Å. In the third Co site, Co is bonded to three equivalent Zr and six Co atoms to form a mixture of distorted edge, corner, and face-sharing CoZr3Co6 cuboctahedra. In the fourth Co site, Co is bonded to three equivalent Zr and six Co atoms to form a mixture of distorted edge, corner, and face-sharing CoZr3Co6 cuboctahedra. In the fifth Co site, Co is bonded to three equivalent Y, three equivalent Zr, and six Co atoms to form CoY3Zr3Co6 cuboctahedra that share corners with eighteen CoY2Zr3Co7 cuboctahedra, edges with six equivalent CoY3Zr3Co6 cuboctahedra, and faces with twenty CoY2Zr3Co7 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2Y2Si4CO16 by Materials Project

Ca2Y2Si4CO16 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.26–2.96 Å. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.25–2.51 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ca, one Y, and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Ca atoms. In the third O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Ca and two Si atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to one Ca, one Y, and one Si atom. In the fifth O site, O is bonded in a 4-coordinate geometry to one Ca, two equivalent Y, and one Si atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Y and one C atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the eighth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one Si atom. In the ninth O site, O is bonded in a 1-coordinate geometry to one Ca, one Y, and one C atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMg2 by Materials Project

Mg2Y is Cubic Laves structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.03 Å. All Mg–Y bond lengths are 3.54 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. There are a spread of Mg–Y bond distances ranging from 3.53–3.56 Å. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. All Y–Y bond lengths are 3.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Rh by Materials Project

Y3Rh is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Rh atoms. There are one shorter (2.80 Å) and one longer (2.85 Å) Y–Rh bond lengths. In the second Y site, Y is bonded in a 2-coordinate geometry to three equivalent Rh atoms. There are a spread of Y–Rh bond distances ranging from 2.87–3.35 Å. Rh is bonded in a 6-coordinate geometry to eight Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMnFe by Materials Project

YFeMn crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.15 Å) and two longer (3.16 Å) Y–Y bond lengths. There are four shorter (3.00 Å) and two longer (3.04 Å) Y–Mn bond lengths. There are two shorter (3.00 Å) and four longer (3.04 Å) Y–Fe bond lengths. Mn is bonded to six equivalent Y, two equivalent Mn, and four equivalent Fe atoms to form MnY6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeY6Mn4Fe2 cuboctahedra, corners with ten equivalent MnY6Mn2Fe4 cuboctahedra, edges with six equivalent MnY6Mn2Fe4 cuboctahedra, faces with six equivalent MnY6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeY6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.61 Å. All Mn–Fe bond lengths are 2.58 Å. Fe is bonded to six equivalent Y, four equivalent Mn, and two equivalent Fe atoms to form FeY6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnY6Mn2Fe4 cuboctahedra, corners with ten equivalent FeY6Mn4Fe2 cuboctahedra, edges with six equivalent FeY6Mn4Fe2 cuboctahedra, faces with six equivalent FeY6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnY6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YMg2 by Materials Project

Mg2Y is Cubic Laves structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Y bond lengths are 3.55 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are four shorter (3.52 Å) and two longer (3.58 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.59 Å) and three longer (3.73 Å) Y–Y bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YVFe11H by Materials Project

YVFe11H crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a distorted linear geometry to one V, ten Fe, and two equivalent H atoms. The Y–V bond length is 3.17 Å. There are a spread of Y–Fe bond distances ranging from 3.04–3.24 Å. Both Y–H bond lengths are 2.36 Å. V is bonded in a 1-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of V–Fe bond distances ranging from 2.26–2.87 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to six Fe and one H atom. There are four shorter (2.43 Å) and two longer (2.59 Å) Fe–Fe bond lengths. The Fe–H bond length is 1.92 Å. In the second Fe site, Fe is bonded in a distorted single-bond geometry to two equivalent V, six Fe, and one H atom. There are four shorter (2.42 Å) and two longer (2.60 Å) Fe–Fe bond lengths. The Fe–H bond length is 1.94 Å. In the third Fe site, Fe is bonded in a single-bond geometry to one V, six Fe, and one H atom. There are a spread of Fe–Fe bond distances ranging from 2.42–2.62 Å. The Fe–H bond length is 1.90 Å. In the fourth Fe site, Fe is bonded to two equivalent Y, one V, and nine Fe atoms to form distorted FeY2VFe9 cuboctahedra that share corners with ten equivalent FeY2VFe9 cuboctahedra, corners with two equivalent HY2Fe4 octahedra, edges with four equivalent FeY2VFe9 cuboctahedra, faces with six equivalent FeY2VFe9 cuboctahedra, and faces with two equivalent HY2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are a spread of Fe–Fe bond distances ranging from 2.36–2.60 Å. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to one V and eight Fe atoms. All Fe–Fe bond lengths are 2.88 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Y, two equivalent V, and eleven Fe atoms. The Fe–Fe bond length is 2.38 Å. H is bonded to two equivalent Y and four Fe atoms to form HY2Fe4 octahedra that share corners with eight equivalent FeY2VFe9 cuboctahedra, corners with two equivalent HY2Fe4 octahedra, and faces with eight equivalent FeY2VFe9 cuboctahedra. The corner-sharing octahedral tilt angles are 2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Co3Si by Materials Project

Y2Co3Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.93 Å) and three longer (3.17 Å) Y–Y bond lengths. There are three shorter (2.83 Å) and six longer (3.01 Å) Y–Co bond lengths. All Y–Si bond lengths are 3.07 Å. Co is bonded to six equivalent Y, four equivalent Co, and two equivalent Si atoms to form CoY6Co4Si2 cuboctahedra that share corners with four equivalent SiY6Co6 cuboctahedra, corners with fourteen equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent CoY6Co4Si2 cuboctahedra, faces with six equivalent SiY6Co6 cuboctahedra, and faces with twelve equivalent CoY6Co4Si2 cuboctahedra. All Co–Co bond lengths are 2.63 Å. Both Co–Si bond lengths are 2.45 Å. Si is bonded to six equivalent Y and six equivalent Co atoms to form SiY6Co6 cuboctahedra that share corners with six equivalent SiY6Co6 cuboctahedra, corners with twelve equivalent CoY6Co4Si2 cuboctahedra, edges with six equivalent SiY6Co6 cuboctahedra, and faces with eighteen equivalent CoY6Co4Si2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YV2Fe10N by Materials Project

YV2Fe10N crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded in a linear geometry to two equivalent V, ten Fe, and two equivalent N atoms. Both Y–V bond lengths are 3.09 Å. There are two shorter (3.07 Å) and eight longer (3.25 Å) Y–Fe bond lengths. Both Y–N bond lengths are 2.37 Å. V is bonded in a 9-coordinate geometry to one Y, one V, and twelve Fe atoms. The V–V bond length is 2.42 Å. There are a spread of V–Fe bond distances ranging from 2.61–2.92 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.47 Å) and two longer (2.64 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.91 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent V, six Fe, and one N atom. There are four shorter (2.45 Å) and two longer (2.66 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.92 Å. In the third Fe site, Fe is bonded to two equivalent Y, two equivalent V, and eight Fe atoms to form distorted FeY2V2Fe8 cuboctahedra that share corners with ten equivalent FeY2V2Fe8 cuboctahedra, corners with two equivalent NY2Fe4 octahedra, edges with four equivalent FeY2V2Fe8 cuboctahedra, faces with six equivalent FeY2V2Fe8 cuboctahedra, and faces with two equivalent NY2Fe4 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.37 Å) and two longer (2.63 Å) Fe–Fe bond lengths. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Y, four equivalent V, and nine Fe atoms. The Fe–Fe bond length is 2.37 Å. N is bonded to two equivalent Y and four Fe atoms to form NY2Fe4 octahedra that share corners with eight equivalent FeY2V2Fe8 cuboctahedra, corners with two equivalent NY2Fe4 octahedra, and faces with eight equivalent FeY2V2Fe8 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YIO9 by Materials Project

YO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one YO9I sheet oriented in the (1, 0, 0) direction. Y is bonded to seven O atoms to form distorted YO7 pentagonal bipyramids that share a cornercorner with one IO5 trigonal bipyramid, an edgeedge with one YO7 pentagonal bipyramid, and edges with two equivalent IO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.27–2.52 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.33 Å) O–O bond length. In the second O site, O is bonded in a water-like geometry to one Y and one O atom. In the third O site, O is bonded in a water-like geometry to one Y and one I atom. The O–I bond length is 1.86 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one Y atom. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a water-like geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a water-like geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the ninth O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y and one I atom. The O–I bond length is 1.94 Å. I is bonded to five O atoms to form IO5 trigonal bipyramids that share a cornercorner with one YO7 pentagonal bipyramid and edges with two equivalent YO7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Au2 by Materials Project

Y3Au2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a square co-planar geometry to four equivalent Au atoms. All Y–Au bond lengths are 3.20 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Au atoms. There are two shorter (3.04 Å) and four longer (3.09 Å) Y–Au bond lengths. Au is bonded in a 8-coordinate geometry to eight Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5Pb3 by Materials Project

Y5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Y–Pb bond lengths are 3.25 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Y–Pb bond distances ranging from 3.13–3.63 Å. Pb is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Co by Materials Project

Y3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Y3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 2-coordinate geometry to two equivalent Co atoms. There are one shorter (2.78 Å) and one longer (2.88 Å) Y–Co bond lengths. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.68 Å) and one longer (2.81 Å) Y–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaY(MnSi)2 by Materials Project

LaY(MnSi)2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Mn, and five Si atoms. All La–Y bond lengths are 3.88 Å. All La–Mn bond lengths are 3.01 Å. There are four shorter (3.13 Å) and one longer (3.39 Å) La–Si bond lengths. Y is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Mn, and six Si atoms. All Y–Mn bond lengths are 2.88 Å. There are a spread of Y–Si bond distances ranging from 3.07–3.56 Å. Mn is bonded in a 4-coordinate geometry to two equivalent La, two equivalent Y, and four Si atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to one La, four equivalent Y, and four equivalent Mn atoms. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent La, two equivalent Y, and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2(InSn)3 by Materials Project

Y2(InSn)3 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Y is bonded to six In and six Sn atoms to form YIn6Sn6 cuboctahedra that share corners with twelve equivalent YIn6Sn6 cuboctahedra, edges with twelve InY4In2Sn6 cuboctahedra, edges with twelve SnY4In4Sn4 cuboctahedra, faces with six equivalent YIn6Sn6 cuboctahedra, faces with six InY4In2Sn6 cuboctahedra, and faces with six SnY4In4Sn4 cuboctahedra. There are four shorter (3.32 Å) and two longer (3.33 Å) Y–In bond lengths. There are a spread of Y–Sn bond distances ranging from 3.30–3.33 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Y, two equivalent In, and six Sn atoms to form distorted InY4In2Sn6 cuboctahedra that share corners with twelve equivalent InY4In2Sn6 cuboctahedra, edges with four equivalent InY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with twelve SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In4Sn4 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. Both In–In bond lengths are 3.31 Å. There are a spread of In–Sn bond distances ranging from 3.31–3.33 Å. In the second In site, In is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted InY4In4Sn4 cuboctahedra that share corners with four equivalent InY4In4Sn4 cuboctahedra, corners with eight equivalent SnY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In4Sn4 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. All In–Sn bond lengths are 3.32 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted SnY4In4Sn4 cuboctahedra that share corners with four equivalent SnY4In4Sn4 cuboctahedra, corners with eight equivalent InY4In4Sn4 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In8 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six InY4In2Sn6 cuboctahedra, and faces with eight SnY4In4Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.32 Å. In the second Sn site, Sn is bonded to four equivalent Y and eight In atoms to form SnY4In8 cuboctahedra that share corners with twelve SnY4In8 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with eight equivalent InY4In2Sn6 cuboctahedra, edges with eight equivalent SnY4In4Sn4 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with six SnY4In8 cuboctahedra, and faces with eight InY4In2Sn6 cuboctahedra. In the third Sn site, Sn is bonded to four equivalent Y, four equivalent In, and four equivalent Sn atoms to form distorted SnY4In4Sn4 cuboctahedra that share corners with twelve SnY4In8 cuboctahedra, edges with eight equivalent YIn6Sn6 cuboctahedra, edges with sixteen InY4In2Sn6 cuboctahedra, faces with four equivalent YIn6Sn6 cuboctahedra, faces with four equivalent InY4In2Sn6 cuboctahedra, and faces with ten SnY4In4Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗