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At least 217 records · Page 12
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DOE OSTI2020

Materials Data on Yb(PPd)2 by Materials Project

YbPd2P2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent P3- atoms to form YbP8 hexagonal bipyramids that share corners with sixteen equivalent PdP4 tetrahedra, edges with four equivalent YbP8 hexagonal bipyramids, edges with eight equivalent PdP4 tetrahedra, and faces with four equivalent YbP8 hexagonal bipyramids. All Yb–P bond lengths are 3.12 Å. Pd2+ is bonded to four equivalent P3- atoms to form PdP4 tetrahedra that share corners with eight equivalent YbP8 hexagonal bipyramids, corners with four equivalent PdP4 tetrahedra, edges with four equivalent YbP8 hexagonal bipyramids, and edges with four equivalent PdP4 tetrahedra. All Pd–P bond lengths are 2.47 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Yb2+, four equivalent Pd2+, and one P3- atom. The P–P bond length is 2.16 Å.

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DOE OSTI2020

Materials Data on YbBr2 by Materials Project

YbBr2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent Br1- atoms to form a mixture of corner and edge-sharing YbBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four shorter (2.90 Å) and two longer (2.92 Å) Yb–Br bond lengths. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Yb2+ atoms.

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Materials Data on LiYbSb by Materials Project

LiYbSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with eight equivalent YbSb5 square pyramids, corners with eight equivalent LiSb4 tetrahedra, edges with six equivalent YbSb5 square pyramids, and edges with two equivalent LiSb4 tetrahedra. There are a spread of Li–Sb bond distances ranging from 2.78–2.97 Å. Yb2+ is bonded to five equivalent Sb3- atoms to form distorted YbSb5 square pyramids that share corners with eight equivalent YbSb5 square pyramids, corners with eight equivalent LiSb4 tetrahedra, edges with six equivalent YbSb5 square pyramids, and edges with six equivalent LiSb4 tetrahedra. There are a spread of Yb–Sb bond distances ranging from 3.21–3.32 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Li1+ and five equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnO3 by Materials Project

YbSnO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent SnO6 octahedra. All Yb–O bond lengths are 2.85 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SnO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb2+ and two equivalent Sn4+ atoms.

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DOE OSTI2020

Materials Data on Yb(H2N)2 by Materials Project

Yb(NH2)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Yb2+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are two shorter (2.44 Å) and four longer (2.56 Å) Yb–N bond lengths. N3- is bonded in a distorted water-like geometry to three equivalent Yb2+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. H1+ is bonded in a single-bond geometry to one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbNdPt2 by Materials Project

YbNdPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Yb–Pt bond lengths are 3.06 Å. Nd2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Nd–Pt bond lengths are 3.06 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Yb2+ and four equivalent Nd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb2C by Materials Project

Yb2C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Yb2C sheets oriented in the (0, 0, 1) direction. Yb2+ is bonded in a trigonal non-coplanar geometry to three equivalent C4- atoms. All Yb–C bond lengths are 2.53 Å. C4- is bonded to six equivalent Yb2+ atoms to form distorted edge-sharing CYb6 octahedra.

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DOE OSTI2020

Materials Data on YbSiPd by Materials Project

YbPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to six equivalent Si4- atoms. There are a spread of Yb–Si bond distances ranging from 3.03–3.30 Å. Pd2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing PdSi4 tetrahedra. There are a spread of Pd–Si bond distances ranging from 2.52–2.57 Å. Si4- is bonded in a 10-coordinate geometry to six equivalent Yb2+ and four equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2YbUO6 by Materials Project

Sr2UYbO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent UO6 octahedra, and faces with four equivalent YbO6 octahedra. All Sr–O bond lengths are 3.05 Å. U6+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.07 Å. Yb2+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.23 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one U6+, and one Yb2+ atom.

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DOE OSTI2020

Materials Data on YbPdO3 by Materials Project

YbPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Yb–O bond lengths are 2.78 Å. Pd4+ is bonded to six equivalent O2- atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 1.97 Å. O2- is bonded to four equivalent Yb2+ and two equivalent Pd4+ atoms to form a mixture of distorted edge, face, and corner-sharing OYb4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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DOE OSTI2020

Materials Data on Yb(BC)2 by Materials Project

Yb(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight equivalent C4- atoms. All Yb–C bond lengths are 2.74 Å. B3+ is bonded in an L-shaped geometry to two equivalent C4- atoms. Both B–C bond lengths are 1.60 Å. C4- is bonded in a 2-coordinate geometry to four equivalent Yb2+, two equivalent B3+, and one C4- atom. The C–C bond length is 1.39 Å.

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DOE OSTI2020

Materials Data on Ba2YbMoO6 by Materials Project

Ba2YbMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent YbO6 octahedra, and faces with four equivalent MoO6 octahedra. All Ba–O bond lengths are 3.00 Å. Yb2+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–O bond lengths are 2.28 Å. Mo6+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent YbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 1.95 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Yb2+, and one Mo6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(CdAs)2 by Materials Project

Yb(CdAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent As3- atoms to form YbAs6 octahedra that share corners with twelve equivalent CdAs4 tetrahedra, edges with six equivalent YbAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Yb–As bond lengths are 3.06 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent YbAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent YbAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–57°. There are three shorter (2.73 Å) and one longer (2.90 Å) Cd–As bond lengths. As3- is bonded to three equivalent Yb2+ and four equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing AsYb3Cd4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbEu(SiAu)4 by Materials Project

YbEu(AuSi)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent Au1- atoms to form distorted edge-sharing YbAu8 hexagonal bipyramids. All Yb–Au bond lengths are 3.33 Å. Eu2+ is bonded in a 8-coordinate geometry to eight equivalent Au1- atoms. All Eu–Au bond lengths are 3.37 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Yb2+, two equivalent Eu2+, and four Si atoms. There are two shorter (2.58 Å) and two longer (2.60 Å) Au–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.33 Å. In the second Si site, Si is bonded in a 5-coordinate geometry to four equivalent Au1- and one Si atom. The Si–Si bond length is 2.32 Å.

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DOE OSTI2020

Materials Data on LaYbPt2 by Materials Project

YbLaPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Yb–Pt bond lengths are 3.09 Å. La2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All La–Pt bond lengths are 3.09 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Yb2+ and four equivalent La2+ atoms.

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DOE OSTI2020

Materials Data on YbSmS2 by Materials Project

YbSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Yb–S bond lengths are 2.80 Å. Sm2+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Sm–S bond lengths are 2.84 Å. S2- is bonded to three equivalent Yb2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing SYb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaYbFe4O7 by Materials Project

BaYbFe4O7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, edges with twelve equivalent FeO4 tetrahedra, and faces with four equivalent YbO6 octahedra. All Ba–O bond lengths are 3.23 Å. Yb2+ is bonded to six equivalent O2- atoms to form YbO6 octahedra that share corners with twelve equivalent FeO4 tetrahedra and faces with four equivalent BaO12 cuboctahedra. All Yb–O bond lengths are 2.30 Å. Fe+2.50+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three equivalent YbO6 octahedra, corners with six equivalent FeO4 tetrahedra, and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (1.93 Å) and one longer (2.10 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Yb2+, and two equivalent Fe+2.50+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Fe+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbFeSi by Materials Project

YbFeSi is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Yb2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are four shorter (3.06 Å) and one longer (3.34 Å) Yb–Si bond lengths. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of distorted corner and edge-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.32 Å. Si4- is bonded in a 10-coordinate geometry to five equivalent Yb2+ and four equivalent Fe2+ atoms.

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