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Materials Data on RbYb3 by Materials Project

RbYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded to twelve Yb atoms to form RbYb12 cuboctahedra that share corners with four equivalent RbYb12 cuboctahedra, corners with eight equivalent YbRb4Yb8 cuboctahedra, edges with eight equivalent RbYb12 cuboctahedra, edges with sixteen equivalent YbRb4Yb8 cuboctahedra, faces with four equivalent RbYb12 cuboctahedra, and faces with fourteen YbRb4Yb8 cuboctahedra. All Rb–Yb bond lengths are 4.12 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Rb and eight Yb atoms to form YbRb4Yb8 cuboctahedra that share corners with twelve equivalent YbRb4Yb8 cuboctahedra, edges with eight equivalent RbYb12 cuboctahedra, edges with sixteen YbRb4Yb8 cuboctahedra, faces with four equivalent RbYb12 cuboctahedra, and faces with fourteen YbRb4Yb8 cuboctahedra. All Yb–Yb bond lengths are 4.12 Å. In the second Yb site, Yb is bonded to four equivalent Rb and eight equivalent Yb atoms to form YbRb4Yb8 cuboctahedra that share corners with four equivalent YbRb4Yb8 cuboctahedra, corners with eight equivalent RbYb12 cuboctahedra, edges with twenty-four YbRb4Yb8 cuboctahedra, faces with six equivalent RbYb12 cuboctahedra, and faces with twelve YbRb4Yb8 cuboctahedra.

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Materials Data on NaYb3 by Materials Project

NaYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Na–Yb bond lengths are 3.75 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.75 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

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Materials Data on LiYb3 by Materials Project

LiYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. All Li–Yb bond lengths are 3.64 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.64 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

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Materials Data on AcYb3 by Materials Project

AcYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms. All Ac–Yb bond lengths are 3.76 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.76 Å. In the second Yb site, Yb is bonded in a distorted body-centered cubic geometry to eight equivalent Yb atoms.

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Materials Data on YbNi4B by Materials Project

YbNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Yb–Ni bond lengths are 2.85 Å. All Yb–B bond lengths are 2.86 Å. In the second Yb site, Yb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Yb–Ni bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.47 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Yb, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.01 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ni atoms.

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Materials Data on BaYb3 by Materials Project

BaYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.87 Å) and six longer (4.47 Å) Ba–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.87 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Yb atoms.

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Materials Data on Yb3(P3Pd10)2 by Materials Project

Yb3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to sixteen Pd atoms to form distorted YbPd16 tetrahedra that share edges with six equivalent YbPd16 tetrahedra and faces with four equivalent YbP6Pd12 cuboctahedra. There are four shorter (2.86 Å) and twelve longer (3.34 Å) Yb–Pd bond lengths. In the second Yb site, Yb is bonded to twelve equivalent Pd and six equivalent P atoms to form distorted face-sharing YbP6Pd12 cuboctahedra. All Yb–Pd bond lengths are 2.99 Å. All Yb–P bond lengths are 3.23 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Yb, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.04 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Yb, nine Pd, and two equivalent P atoms. There are one shorter (2.68 Å) and four longer (2.99 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to one Yb and eight Pd atoms.

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Materials Data on Yb3SnH2 by Materials Project

Yb3SnH2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to two equivalent Sn and four equivalent H atoms. Both Yb–Sn bond lengths are 3.45 Å. All Yb–H bond lengths are 2.24 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to four equivalent Sn and two equivalent H atoms. There are a spread of Yb–Sn bond distances ranging from 3.30–3.85 Å. Both Yb–H bond lengths are 2.22 Å. Sn is bonded in a 10-coordinate geometry to ten Yb atoms. H is bonded to four Yb atoms to form a mixture of corner and edge-sharing HYb4 tetrahedra.

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Materials Data on Yb2Co17 by Materials Project

Yb2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Yb–Co bond distances ranging from 2.92–3.25 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Yb–Co bond distances ranging from 2.88–3.12 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Yb and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.66 Å. In the second Co site, Co is bonded to two equivalent Yb and ten Co atoms to form CoYb2Co10 cuboctahedra that share corners with fourteen CoYb2Co10 cuboctahedra, edges with six equivalent CoYb3Co9 cuboctahedra, and faces with ten CoYb2Co10 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two Yb and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.52 Å. In the fourth Co site, Co is bonded to three Yb and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoYb3Co9 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.

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Materials Data on Yb2Fe17 by Materials Project

Yb2Fe17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to eighteen Fe atoms. There are a spread of Yb–Fe bond distances ranging from 3.00–3.30 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to twenty Fe atoms. There are a spread of Yb–Fe bond distances ranging from 2.91–3.20 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Yb and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.42–2.75 Å. In the second Fe site, Fe is bonded to two equivalent Yb and ten Fe atoms to form FeYb2Fe10 cuboctahedra that share corners with fourteen FeYb2Fe10 cuboctahedra, edges with six equivalent FeYb3Fe9 cuboctahedra, and faces with ten FeYb2Fe10 cuboctahedra. There are four shorter (2.44 Å) and four longer (2.46 Å) Fe–Fe bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two Yb and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.60 Å. In the fourth Fe site, Fe is bonded to three Yb and nine Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeYb3Fe9 cuboctahedra. Both Fe–Fe bond lengths are 2.46 Å.

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Materials Data on KYb3 by Materials Project

KYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.92 Å) and six longer (4.53 Å) K–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent K and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.92 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent K and eight equivalent Yb atoms.

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Materials Data on LiYb3 by Materials Project

LiYb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Yb atoms to form LiYb12 cuboctahedra that share corners with four equivalent LiYb12 cuboctahedra, corners with eight equivalent YbLi4Yb8 cuboctahedra, edges with eight equivalent LiYb12 cuboctahedra, edges with sixteen equivalent YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with fourteen YbLi4Yb8 cuboctahedra. There are four shorter (3.71 Å) and eight longer (3.73 Å) Li–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Li and eight Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with twelve equivalent YbLi4Yb8 cuboctahedra, edges with eight equivalent LiYb12 cuboctahedra, edges with sixteen YbLi4Yb8 cuboctahedra, faces with four equivalent LiYb12 cuboctahedra, and faces with fourteen YbLi4Yb8 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.73 Å) Yb–Yb bond lengths. In the second Yb site, Yb is bonded to four equivalent Li and eight equivalent Yb atoms to form YbLi4Yb8 cuboctahedra that share corners with four equivalent YbLi4Yb8 cuboctahedra, corners with eight equivalent LiYb12 cuboctahedra, edges with twenty-four YbLi4Yb8 cuboctahedra, faces with six equivalent LiYb12 cuboctahedra, and faces with twelve YbLi4Yb8 cuboctahedra.

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Materials Data on Ca8(YbSe4)3 by Materials Project

Ca8(YbSe4)3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share corners with five equivalent CaSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with ten CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are five shorter (2.97 Å) and one longer (2.99 Å) Ca–Se bond lengths. In the second Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share a cornercorner with one YbSe6 octahedra, corners with five CaSe6 octahedra, and edges with twelve CaSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are five shorter (2.97 Å) and one longer (2.98 Å) Ca–Se bond lengths. In the third Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share a cornercorner with one YbSe6 octahedra, corners with five CaSe6 octahedra, edges with four CaSe6 octahedra, and edges with six YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are five shorter (2.97 Å) and one longer (3.00 Å) Ca–Se bond lengths. In the fourth Ca2+ site, Ca2+ is bonded to six Se2- atoms to form CaSe6 octahedra that share a cornercorner with one YbSe6 octahedra, corners with five equivalent CaSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with ten CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are five shorter (2.97 Å) and one longer (2.98 Å) Ca–Se bond lengths. There are two inequivalent Yb+2.67+ sites. In the first Yb+2.67+ site, Yb+2.67+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two CaSe6 octahedra, corners with four equivalent YbSe6 octahedra, edges with two equivalent YbSe6 octahedra, and edges with eight CaSe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Yb–Se bond distances ranging from 2.96–2.99 Å. In the second Yb+2.67+ site, Yb+2.67+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two equivalent CaSe6 octahedra, corners with four equivalent YbSe6 octahedra, edges with four equivalent CaSe6 octahedra, and edges with four equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.97 Å) and two longer (2.98 Å) Yb–Se bond lengths. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three Ca2+ and three Yb+2.67+ atoms to form SeCa3Yb3 octahedra that share corners with six SeCa3Yb3 octahedra, edges with four SeCa6 octahedra, and edges with four equivalent SeCa3Yb2 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. In the second Se2- site, Se2- is bonded to six Ca2+ atoms to form SeCa6 octahedra that share corners with five SeCa6 octahedra, edges with ten SeCa3Yb3 octahedra, and edges with two equivalent SeCa3Yb2 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. In the third Se2- site, Se2- is bonded to three Ca2+ and two equivalent Yb+2.67+ atoms to form SeCa3Yb2 square pyramids that share a cornercorner with one SeCa6 octahedra, corners with four equivalent SeCa3Yb2 square pyramids, and edges with eight SeCa3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth Se2- site, Se2- is bonded to six Ca2+ atoms to form SeCa6 octahedra that share corners with six SeCa3Yb3 octahedra and edges with twelve SeCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fifth Se2- site, Se2- is bonded to five Ca2+ and one Yb+2.67+ atom to form SeCa5Yb octahedra that share corners with five SeCa6 octahedra, edges with ten SeCa3Yb3 octahedra, and edges with two equivalent SeCa3Yb2 square pyramids. The corner-sharing octahedral tilt angles are 0°. In the sixth Se2- site, Se2- is bonded to six Ca2+ atoms to form SeCa6 octahedra that share corners with four equivalent SeCa6 octahedra, corners with two equivalent SeCa3Yb2 square pyramids, and edges with twelve SeCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the seventh Se2- site, Se2- is bonded in a square co-planar geometry to one Ca2+ and three Yb+2.67+ atoms.

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Materials Data on Yb5CdCu2 by Materials Project

Yb5Cu2Cd crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Cu and two equivalent Cd atoms. All Yb–Cu bond lengths are 3.11 Å. Both Yb–Cd bond lengths are 3.60 Å. In the second Yb site, Yb is bonded to three equivalent Cu and two equivalent Cd atoms to form a mixture of distorted corner, edge, and face-sharing YbCd2Cu3 trigonal bipyramids. There are two shorter (2.99 Å) and one longer (3.08 Å) Yb–Cu bond lengths. Both Yb–Cd bond lengths are 3.32 Å. Cu is bonded in a 9-coordinate geometry to eight Yb and one Cu atom. The Cu–Cu bond length is 2.59 Å. Cd is bonded in a 10-coordinate geometry to ten Yb atoms.

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Materials Data on SrYb3 by Materials Project

SrYb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to fourteen Yb atoms. There are eight shorter (3.80 Å) and six longer (4.39 Å) Sr–Yb bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Yb atoms. All Yb–Yb bond lengths are 3.80 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six equivalent Sr and eight equivalent Yb atoms.

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Materials Data on CaYb3 by Materials Project

CaYb3 is beta Cu3Ti-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded to twelve Yb atoms to form CaYb12 cuboctahedra that share corners with four equivalent CaYb12 cuboctahedra, corners with eight equivalent YbCa4Yb8 cuboctahedra, edges with eight equivalent CaYb12 cuboctahedra, edges with sixteen equivalent YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with fourteen YbCa4Yb8 cuboctahedra. There are a spread of Ca–Yb bond distances ranging from 3.83–3.90 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Ca and eight Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with twelve equivalent YbCa4Yb8 cuboctahedra, edges with eight equivalent CaYb12 cuboctahedra, edges with sixteen YbCa4Yb8 cuboctahedra, faces with four equivalent CaYb12 cuboctahedra, and faces with fourteen YbCa4Yb8 cuboctahedra. There are a spread of Yb–Yb bond distances ranging from 3.83–3.90 Å. In the second Yb site, Yb is bonded to four equivalent Ca and eight equivalent Yb atoms to form YbCa4Yb8 cuboctahedra that share corners with four equivalent YbCa4Yb8 cuboctahedra, corners with eight equivalent CaYb12 cuboctahedra, edges with twenty-four YbCa4Yb8 cuboctahedra, faces with six equivalent CaYb12 cuboctahedra, and faces with twelve YbCa4Yb8 cuboctahedra.

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Materials Data on Yb3Al by Materials Project

Yb3Al is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four equivalent Yb and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing YbYb4Al4 tetrahedra. All Yb–Yb bond lengths are 3.39 Å. All Yb–Al bond lengths are 3.39 Å. In the second Yb site, Yb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.

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Materials Data on K2Yb2(PO4)3 by Materials Project

K2Yb2(PO4)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to three equivalent O atoms. All K–O bond lengths are 3.04 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 3.11–3.32 Å. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Yb–O bond lengths are 2.30 Å. In the second Yb site, Yb is bonded to six O atoms to form YbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.26 Å) and three longer (2.28 Å) Yb–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four YbO6 octahedra. The corner-sharing octahedra tilt angles range from 13–45°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one K, one Yb, and one P atom. In the second O site, O is bonded in a distorted linear geometry to one K, one Yb, and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one K, one Yb, and one P atom. In the fourth O site, O is bonded in a 3-coordinate geometry to one K, one Yb, and one P atom.

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