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At least 901 records · Page 50
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DOE OSTI2020

Materials Data on Zr4NiP by Materials Project

Zr4NiP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent P atoms. Both Zr–Ni bond lengths are 2.77 Å. Both Zr–P bond lengths are 2.78 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.68 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2CuTeO7 by Materials Project

K2CuTeO7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.77–3.17 Å. Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.93–1.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one K, one Cu, and one Te atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Cu, and one Te atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent K and one Te atom. In the fourth O site, O is bonded in a 4-coordinate geometry to four equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErZnPt by Materials Project

ErPtZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.89–2.96 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Zn atoms. There are a spread of Pt–Zn bond distances ranging from 2.68–2.71 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInPt4 by Materials Project

SmPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All Sm–Pt bond lengths are 3.19 Å. Pt1- is bonded to three equivalent Sm3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of edge, face, and corner-sharing PtSm3In3Pt6 cuboctahedra. There are three shorter (2.71 Å) and three longer (2.73 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.19 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgHg2 by Materials Project

MgHg2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Hg atoms. There are a spread of Mg–Hg bond distances ranging from 3.11–3.18 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 4-coordinate geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a 10-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSb by Materials Project

MgSb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven equivalent Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 3.01–3.21 Å. Sb2- is bonded in a 7-coordinate geometry to seven equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb3Na by Materials Project

Rb3Na crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to eight equivalent Rb and two equivalent Na atoms. There are a spread of Rb–Rb bond distances ranging from 4.56–4.91 Å. Both Rb–Na bond lengths are 4.60 Å. Na is bonded in a 6-coordinate geometry to six equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgGa by Materials Project

MgGa is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.92–3.02 Å. Ga is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPd by Materials Project

PdGa is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd is bonded in a 7-coordinate geometry to seven equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.57–2.75 Å. Ga is bonded in a 7-coordinate geometry to seven equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn by Materials Project

MgIn is alpha-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six equivalent In atoms. There are two shorter (3.06 Å) and four longer (3.11 Å) Mg–In bond lengths. In is bonded in a 6-coordinate geometry to six equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmI by Materials Project

PmI is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pm is bonded in a 6-coordinate geometry to six equivalent I atoms. All Pm–I bond lengths are 3.28 Å. I is bonded in a 6-coordinate geometry to six equivalent Pm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPd by Materials Project

PdY is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Y–Pd bond distances ranging from 2.95–3.01 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2Lu3Te4(IO4)3 by Materials Project

Na2Lu3Te4(O4I)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded in a 2-coordinate geometry to four O2- and four I1- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.93 Å. There are a spread of Na–I bond distances ranging from 3.32–3.42 Å. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.27–2.49 Å. In the second Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.27–2.47 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Te–O bond length. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–1.93 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Na1+, two Lu3+, and one Te4+ atom to form distorted corner-sharing ONaLu2Te tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Lu3+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Lu3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded to one Na1+, two equivalent Lu3+, and one Te4+ atom to form a mixture of edge and corner-sharing ONaLu2Te tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Lu3+, and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Lu3+ and one Te4+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Na1+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Na1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyPt by Materials Project

DyPt is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.87–3.03 Å. Pt is bonded in a 7-coordinate geometry to seven equivalent Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KRb3 by Materials Project

Rb3K crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to eight equivalent Rb and four equivalent K atoms. There are a spread of Rb–Rb bond distances ranging from 4.94–5.11 Å. There are two shorter (4.89 Å) and two longer (5.04 Å) Rb–K bond lengths. K is bonded in a 12-coordinate geometry to twelve equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiS by Materials Project

LiS crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent S1- atoms. All Li–S bond lengths are 2.40 Å. S1- is bonded in a 4-coordinate geometry to four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuZnRh by Materials Project

LuRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are two shorter (2.86 Å) and three longer (2.94 Å) Lu–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.61–2.66 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaRh2 by Materials Project

TaRh2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 10-coordinate geometry to ten Rh atoms. There are a spread of Ta–Rh bond distances ranging from 2.65–2.87 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Ta atoms. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Ta atoms.

36 MATERIALS SCIENCE↗