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DOE OSTI2020

Materials Data on CsYb3 by Materials Project

CsYb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Yb atoms to form CsYb12 cuboctahedra that share corners with twelve equivalent CsYb12 cuboctahedra, edges with twenty-four equivalent YbCs4Yb8 cuboctahedra, faces with six equivalent CsYb12 cuboctahedra, and faces with twelve equivalent YbCs4Yb8 cuboctahedra. All Cs–Yb bond lengths are 4.19 Å. Yb is bonded to four equivalent Cs and eight equivalent Yb atoms to form YbCs4Yb8 cuboctahedra that share corners with twelve equivalent YbCs4Yb8 cuboctahedra, edges with eight equivalent CsYb12 cuboctahedra, edges with sixteen equivalent YbCs4Yb8 cuboctahedra, faces with four equivalent CsYb12 cuboctahedra, and faces with fourteen equivalent YbCs4Yb8 cuboctahedra. All Yb–Yb bond lengths are 4.19 Å.

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Materials Data on YbAlCu by Materials Project

YbCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.92 Å) and one longer (2.95 Å) Yb–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.25 Å) Yb–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Al atoms. All Cu–Al bond lengths are 2.60 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Al atoms. All Cu–Al bond lengths are 2.78 Å. Al is bonded in a 12-coordinate geometry to six equivalent Yb, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.89 Å.

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Materials Data on TbYb3 by Materials Project

Yb3Tb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Tb atoms to form YbTb4Yb8 cuboctahedra that share corners with four equivalent TbYb12 cuboctahedra, corners with fourteen equivalent YbTb4Yb8 cuboctahedra, edges with six equivalent TbYb12 cuboctahedra, edges with twelve equivalent YbTb4Yb8 cuboctahedra, faces with four equivalent TbYb12 cuboctahedra, and faces with sixteen equivalent YbTb4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.67–3.84 Å. There are two shorter (3.70 Å) and two longer (3.76 Å) Yb–Tb bond lengths. Tb is bonded to twelve equivalent Yb atoms to form TbYb12 cuboctahedra that share corners with six equivalent TbYb12 cuboctahedra, corners with twelve equivalent YbTb4Yb8 cuboctahedra, edges with eighteen equivalent YbTb4Yb8 cuboctahedra, faces with eight equivalent TbYb12 cuboctahedra, and faces with twelve equivalent YbTb4Yb8 cuboctahedra.

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Materials Data on CaYb3 by Materials Project

CaYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Yb atoms to form CaYb12 cuboctahedra that share corners with six equivalent CaYb12 cuboctahedra, corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eighteen equivalent YbCa4Yb8 cuboctahedra, faces with eight equivalent CaYb12 cuboctahedra, and faces with twelve equivalent YbCa4Yb8 cuboctahedra. There are six shorter (3.84 Å) and six longer (3.93 Å) Ca–Yb bond lengths. Yb is bonded to four equivalent Ca and eight equivalent Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with four equivalent CaYb12 cuboctahedra, corners with fourteen equivalent YbCa4Yb8 cuboctahedra, edges with six equivalent CaYb12 cuboctahedra, edges with twelve equivalent YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with sixteen equivalent YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.84–3.94 Å.

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Materials Data on LiYb3 by Materials Project

LiYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Yb atoms to form LiYb12 cuboctahedra that share corners with six equivalent LiYb12 cuboctahedra, corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eighteen equivalent YbLi4Yb8 cuboctahedra, faces with eight equivalent LiYb12 cuboctahedra, and faces with twelve equivalent YbLi4Yb8 cuboctahedra. There are six shorter (3.71 Å) and six longer (3.72 Å) Li–Yb bond lengths. Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with fourteen equivalent YbLi4Yb8 cuboctahedra, edges with six equivalent LiYb12 cuboctahedra, edges with twelve equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with sixteen equivalent YbLi4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.68–3.77 Å.

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Materials Data on Yb3Er by Materials Project

Yb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Er atoms to form YbYb8Er4 cuboctahedra that share corners with four equivalent ErYb12 cuboctahedra, corners with fourteen equivalent YbYb8Er4 cuboctahedra, edges with six equivalent ErYb12 cuboctahedra, edges with twelve equivalent YbYb8Er4 cuboctahedra, faces with four equivalent ErYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Er4 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.65–3.83 Å. There are two shorter (3.69 Å) and two longer (3.74 Å) Yb–Er bond lengths. Er is bonded to twelve equivalent Yb atoms to form ErYb12 cuboctahedra that share corners with six equivalent ErYb12 cuboctahedra, corners with twelve equivalent YbYb8Er4 cuboctahedra, edges with eighteen equivalent YbYb8Er4 cuboctahedra, faces with eight equivalent ErYb12 cuboctahedra, and faces with twelve equivalent YbYb8Er4 cuboctahedra.

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Materials Data on Yb3Cr by Materials Project

Yb3Cr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Cr atoms to form distorted YbYb8Cr4 cuboctahedra that share corners with twelve equivalent YbYb8Cr4 cuboctahedra, edges with eight equivalent CrYb12 cuboctahedra, edges with sixteen equivalent YbYb8Cr4 cuboctahedra, faces with four equivalent CrYb12 cuboctahedra, and faces with fourteen equivalent YbYb8Cr4 cuboctahedra. All Yb–Yb bond lengths are 3.42 Å. All Yb–Cr bond lengths are 3.42 Å. Cr is bonded to twelve equivalent Yb atoms to form CrYb12 cuboctahedra that share corners with twelve equivalent CrYb12 cuboctahedra, edges with twenty-four equivalent YbYb8Cr4 cuboctahedra, faces with six equivalent CrYb12 cuboctahedra, and faces with twelve equivalent YbYb8Cr4 cuboctahedra.

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Materials Data on SrYb3 by Materials Project

SrYb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent Yb atoms to form SrYb12 cuboctahedra that share corners with twelve equivalent SrYb12 cuboctahedra, edges with twenty-four equivalent YbSr4Yb8 cuboctahedra, faces with six equivalent SrYb12 cuboctahedra, and faces with twelve equivalent YbSr4Yb8 cuboctahedra. All Sr–Yb bond lengths are 3.95 Å. Yb is bonded to four equivalent Sr and eight equivalent Yb atoms to form YbSr4Yb8 cuboctahedra that share corners with twelve equivalent YbSr4Yb8 cuboctahedra, edges with eight equivalent SrYb12 cuboctahedra, edges with sixteen equivalent YbSr4Yb8 cuboctahedra, faces with four equivalent SrYb12 cuboctahedra, and faces with fourteen equivalent YbSr4Yb8 cuboctahedra. All Yb–Yb bond lengths are 3.95 Å.

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Materials Data on RbYb by Materials Project

RbYb is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rb is bonded to six equivalent Rb and six equivalent Yb atoms to form RbRb6Yb6 cuboctahedra that share corners with eighteen equivalent RbRb6Yb6 cuboctahedra, edges with six equivalent RbRb6Yb6 cuboctahedra, edges with twelve equivalent YbRb6Yb6 cuboctahedra, faces with eight equivalent RbRb6Yb6 cuboctahedra, and faces with twelve equivalent YbRb6Yb6 cuboctahedra. All Rb–Rb bond lengths are 4.26 Å. All Rb–Yb bond lengths are 4.52 Å. Yb is bonded to six equivalent Rb and six equivalent Yb atoms to form YbRb6Yb6 cuboctahedra that share corners with eighteen equivalent YbRb6Yb6 cuboctahedra, edges with six equivalent YbRb6Yb6 cuboctahedra, edges with twelve equivalent RbRb6Yb6 cuboctahedra, faces with eight equivalent YbRb6Yb6 cuboctahedra, and faces with twelve equivalent RbRb6Yb6 cuboctahedra. All Yb–Yb bond lengths are 4.26 Å.

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Materials Data on Yb2(Ga3Co)3 by Materials Project

Yb2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Yb–Ga bond distances ranging from 2.95–3.05 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.52–2.54 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.49–2.55 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Yb, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.80 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, three Co, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.83 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.76 Å.

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Materials Data on YbSnIr by Materials Project

YbIrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (2.98 Å) and four longer (3.05 Å) Yb–Ir bond lengths. There are two shorter (3.21 Å) and four longer (3.34 Å) Yb–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.82 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.75 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Ir atoms.

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Materials Data on Yb2Mg by Materials Project

MgYb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten equivalent Yb atoms. There are a spread of Mg–Yb bond distances ranging from 3.50–3.69 Å. Yb is bonded to five equivalent Mg and seven equivalent Yb atoms to form a mixture of distorted corner, edge, and face-sharing YbYb7Mg5 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.50–3.72 Å.

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Materials Data on Yb3Cd by Materials Project

Yb3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Cd atoms to form distorted YbYb8Cd4 cuboctahedra that share corners with twelve equivalent YbYb8Cd4 cuboctahedra, edges with eight equivalent CdYb12 cuboctahedra, edges with sixteen equivalent YbYb8Cd4 cuboctahedra, faces with four equivalent CdYb12 cuboctahedra, and faces with fourteen equivalent YbYb8Cd4 cuboctahedra. All Yb–Yb bond lengths are 3.60 Å. All Yb–Cd bond lengths are 3.60 Å. Cd is bonded to twelve equivalent Yb atoms to form CdYb12 cuboctahedra that share corners with twelve equivalent CdYb12 cuboctahedra, edges with twenty-four equivalent YbYb8Cd4 cuboctahedra, faces with six equivalent CdYb12 cuboctahedra, and faces with twelve equivalent YbYb8Cd4 cuboctahedra.

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Materials Data on Yb2(Ga3Rh)3 by Materials Project

Yb2Rh3Ga9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Yb–Ga bond distances ranging from 3.04–3.15 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.56–2.62 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.60 Å) and four longer (2.61 Å) Rh–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Rh, and six Ga atoms. All Ga–Ga bond lengths are 2.76 Å. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Yb, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.78–2.93 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Yb, three Rh, and five Ga atoms. There are one shorter (2.76 Å) and two longer (2.85 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Yb, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.

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Materials Data on Yb3Cu by Materials Project

Yb3Cu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Cu atoms to form distorted YbYb8Cu4 cuboctahedra that share corners with twelve equivalent YbYb8Cu4 cuboctahedra, edges with eight equivalent CuYb12 cuboctahedra, edges with sixteen equivalent YbYb8Cu4 cuboctahedra, faces with four equivalent CuYb12 cuboctahedra, and faces with fourteen equivalent YbYb8Cu4 cuboctahedra. All Yb–Yb bond lengths are 3.44 Å. All Yb–Cu bond lengths are 3.44 Å. Cu is bonded to twelve equivalent Yb atoms to form CuYb12 cuboctahedra that share corners with twelve equivalent CuYb12 cuboctahedra, edges with twenty-four equivalent YbYb8Cu4 cuboctahedra, faces with six equivalent CuYb12 cuboctahedra, and faces with twelve equivalent YbYb8Cu4 cuboctahedra.

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Materials Data on Yb3Eu by Materials Project

Yb3Eu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to eight equivalent Yb and four equivalent Eu atoms to form YbYb8Eu4 cuboctahedra that share corners with four equivalent EuYb12 cuboctahedra, corners with fourteen equivalent YbYb8Eu4 cuboctahedra, edges with six equivalent EuYb12 cuboctahedra, edges with twelve equivalent YbYb8Eu4 cuboctahedra, faces with four equivalent EuYb12 cuboctahedra, and faces with sixteen equivalent YbYb8Eu4 cuboctahedra. There are four shorter (3.85 Å) and four longer (3.87 Å) Yb–Yb bond lengths. There are two shorter (3.85 Å) and two longer (3.87 Å) Yb–Eu bond lengths. Eu is bonded to twelve equivalent Yb atoms to form EuYb12 cuboctahedra that share corners with six equivalent EuYb12 cuboctahedra, corners with twelve equivalent YbYb8Eu4 cuboctahedra, edges with eighteen equivalent YbYb8Eu4 cuboctahedra, faces with eight equivalent EuYb12 cuboctahedra, and faces with twelve equivalent YbYb8Eu4 cuboctahedra.

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Materials Data on YbEu by Materials Project

EuYb crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Eu atoms. All Yb–Yb bond lengths are 3.76 Å. All Yb–Eu bond lengths are 3.74 Å. Eu is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Eu atoms. All Eu–Eu bond lengths are 3.76 Å.

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Materials Data on NaYb3 by Materials Project

NaYb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to twelve equivalent Yb atoms to form NaYb12 cuboctahedra that share corners with six equivalent NaYb12 cuboctahedra, corners with twelve equivalent YbNa4Yb8 cuboctahedra, edges with eighteen equivalent YbNa4Yb8 cuboctahedra, faces with eight equivalent NaYb12 cuboctahedra, and faces with twelve equivalent YbNa4Yb8 cuboctahedra. There are six shorter (3.85 Å) and six longer (3.86 Å) Na–Yb bond lengths. Yb is bonded to four equivalent Na and eight equivalent Yb atoms to form YbNa4Yb8 cuboctahedra that share corners with four equivalent NaYb12 cuboctahedra, corners with fourteen equivalent YbNa4Yb8 cuboctahedra, edges with six equivalent NaYb12 cuboctahedra, edges with twelve equivalent YbNa4Yb8 cuboctahedra, faces with four equivalent NaYb12 cuboctahedra, and faces with sixteen equivalent YbNa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.82–3.87 Å.

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