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At least 919 records · Page 51
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DOE OSTI2020

Materials Data on Ga3Ir by Materials Project

IrGa3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Ir is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.45–2.62 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Ir atoms. In the second Ga site, Ga is bonded in a 1-coordinate geometry to three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Cu2I by Materials Project

La2Cu2I crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six Cu and three equivalent I atoms. All La–Cu bond lengths are 3.08 Å. All La–I bond lengths are 3.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.46 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Cu atoms. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPb by Materials Project

PbMg1 is alpha-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 7-coordinate geometry to seven equivalent Pb atoms. There are a spread of Mg–Pb bond distances ranging from 3.13–3.29 Å. Pb is bonded in a 7-coordinate geometry to seven equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgIn by Materials Project

MgIn 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 In atoms. There are four shorter (3.14 Å) and four longer (3.20 Å) Mg–In bond lengths. In is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSe2 by Materials Project

ScSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sc3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Sc–Se bond distances ranging from 2.80–2.93 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to five equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing SeSc5 trigonal bipyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Sc3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2Ru2I by Materials Project

La2Ru2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six equivalent Ru and three equivalent I atoms. There are three shorter (3.08 Å) and three longer (3.20 Å) La–Ru bond lengths. All La–I bond lengths are 3.59 Å. Ru is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Ru atoms. All Ru–Ru bond lengths are 2.52 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuSn2 by Materials Project

PuSn2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pu–Sn bond distances ranging from 3.19–3.40 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pu atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six equivalent Pu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga9Rh2 by Materials Project

Rh2Ga9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.46–2.70 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a linear geometry to two equivalent Rh atoms. In the second Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh atoms. In the fourth Ga site, Ga is bonded in a distorted bent 120 degrees geometry to two equivalent Rh atoms. In the fifth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KIO3 by Materials Project

KIO3 crystallizes in the trigonal R3 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.99–3.26 Å. O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and two equivalent I5+ atoms. There are one shorter (1.84 Å) and one longer (2.72 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrSn by Materials Project

ZrSn is gamma CuTi structured and crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Zr–Sn bond distances ranging from 2.94–3.12 Å. Sn is bonded in a 6-coordinate geometry to six equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoPd by Materials Project

HoPd is alpha-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Ho–Pd bond distances ranging from 2.88–3.01 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga7Pt3 by Materials Project

Ga7Pt3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pt is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.59 Å) and four longer (2.63 Å) Pt–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to four equivalent Pt atoms. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaInPt4 by Materials Project

LaPt4In is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms. All La–Pt bond lengths are 3.22 Å. Pt1- is bonded to three equivalent La3+, six equivalent Pt1-, and three equivalent In1+ atoms to form a mixture of edge, corner, and face-sharing PtLa3In3Pt6 cuboctahedra. There are three shorter (2.73 Å) and three longer (2.76 Å) Pt–Pt bond lengths. All Pt–In bond lengths are 3.21 Å. In1+ is bonded in a 12-coordinate geometry to twelve equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGe by Materials Project

MnGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mn is bonded in a 7-coordinate geometry to seven equivalent Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.43–2.66 Å. Ge is bonded in a 7-coordinate geometry to seven equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlPdPb by Materials Project

PdTlPb is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to two equivalent Pd, four equivalent Tl, and four equivalent Pb atoms. Both Pd–Pd bond lengths are 3.02 Å. All Pd–Tl bond lengths are 3.04 Å. All Pd–Pb bond lengths are 2.94 Å. Tl is bonded in a 4-coordinate geometry to four equivalent Pd atoms. Pb is bonded in a 4-coordinate geometry to four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Pd4 by Materials Project

Yb3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Yb–Pd bond distances ranging from 2.85–3.26 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Yb atoms. In the second Pd site, Pd is bonded in a distorted octahedral geometry to six equivalent Yb atoms. In the third Pd site, Pd is bonded in a 7-coordinate geometry to seven equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbZnRh by Materials Project

YbRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are two shorter (2.90 Å) and three longer (2.94 Å) Yb–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Yb and four equivalent Zn atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Rh–Zn bond lengths. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaF3 by Materials Project

LaF3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of La–F bond distances ranging from 2.47–2.90 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to four equivalent La3+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms.

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