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At least 1,117 records · Page 62
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DOE OSTI2020

Materials Data on Fe3Ni3Ge2 by Materials Project

Fe3Ni3Ge2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Ni and four Ge atoms. There are four shorter (2.47 Å) and three longer (2.86 Å) Fe–Ni bond lengths. All Fe–Ge bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Ni and four Ge atoms. There are a spread of Fe–Ni bond distances ranging from 2.48–2.86 Å. There are one shorter (2.47 Å) and three longer (2.48 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a body-centered cubic geometry to four Ni and four Ge atoms. There are three shorter (2.48 Å) and one longer (2.51 Å) Fe–Ni bond lengths. There are one shorter (2.47 Å) and three longer (2.49 Å) Fe–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six Fe, four Ni, and four Ge atoms. There are one shorter (2.46 Å) and three longer (2.48 Å) Ni–Ni bond lengths. There are three shorter (2.48 Å) and one longer (2.49 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to seven Fe, one Ni, and six Ge atoms. There are three shorter (2.86 Å) and three longer (2.87 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 8-coordinate geometry to five Fe, three equivalent Ni, and six Ge atoms. There are three shorter (2.85 Å) and three longer (2.87 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to five Fe and nine Ni atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to seven Fe and seven Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3(UGe2)2 by Materials Project

U2Zr3Ge4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of U–Ge bond distances ranging from 2.91–3.22 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.72–2.87 Å. In the second Zr site, Zr is bonded to six Ge atoms to form corner-sharing ZrGe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Zr–Ge bond distances ranging from 2.84–2.92 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Zr, and one Ge atom. The Ge–Ge bond length is 2.82 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent U, five Zr, and one Ge atom. The Ge–Ge bond length is 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ge5Ir3 by Materials Project

Ce2Ir3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to seven Ir and ten Ge atoms. There are a spread of Ce–Ir bond distances ranging from 3.14–3.57 Å. There are a spread of Ce–Ge bond distances ranging from 3.01–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 6-coordinate geometry to four equivalent Ce and six Ge atoms. There are four shorter (2.54 Å) and two longer (2.65 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 10-coordinate geometry to five equivalent Ce and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.41–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce, three Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ce, three Ir, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UGe2 by Materials Project

UGe2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of U–Ge bond distances ranging from 2.92–3.20 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.93 Å. In the second Ge site, Ge is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er4In(NiGe2)2 by Materials Project

Er4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent In, and five Ge atoms. There are one shorter (2.98 Å) and two longer (3.31 Å) Er–Ni bond lengths. Both Er–In bond lengths are 3.33 Å. There are a spread of Er–Ge bond distances ranging from 2.89–3.04 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. There are two shorter (3.01 Å) and one longer (3.02 Å) Er–Ni bond lengths. Both Er–In bond lengths are 3.39 Å. There are a spread of Er–Ge bond distances ranging from 2.95–3.31 Å. Ni is bonded in a 10-coordinate geometry to six Er and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.55 Å. In is bonded to eight Er and four Ge atoms to form face-sharing InEr8Ge4 cuboctahedra. There are two shorter (2.86 Å) and two longer (3.08 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Er, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4In(NiGe2)2 by Materials Project

Ho4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent In, and five Ge atoms. There are one shorter (2.97 Å) and two longer (3.30 Å) Ho–Ni bond lengths. Both Ho–In bond lengths are 3.34 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.06 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. There are two shorter (3.03 Å) and one longer (3.05 Å) Ho–Ni bond lengths. Both Ho–In bond lengths are 3.40 Å. There are a spread of Ho–Ge bond distances ranging from 2.96–3.29 Å. Ni is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.56 Å. In is bonded to eight Ho and four Ge atoms to form face-sharing InHo8Ge4 cuboctahedra. There are two shorter (2.86 Å) and two longer (3.11 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ni, and one In atom.

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DOE OSTI2020

Materials Data on Tm4In(NiGe2)2 by Materials Project

Tm4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to one Ni, two equivalent In, and five Ge atoms. The Tm–Ni bond length is 2.98 Å. Both Tm–In bond lengths are 3.32 Å. There are a spread of Tm–Ge bond distances ranging from 2.88–3.02 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. All Tm–Ni bond lengths are 3.00 Å. Both Tm–In bond lengths are 3.37 Å. There are a spread of Tm–Ge bond distances ranging from 2.94–3.32 Å. Ni is bonded in a 10-coordinate geometry to four Tm and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.54 Å. In is bonded to eight Tm and four Ge atoms to form face-sharing InTm8Ge4 cuboctahedra. There are two shorter (2.85 Å) and two longer (3.06 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Tm, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6Ge5 by Materials Project

Ti6Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded to seven Ge atoms to form a mixture of distorted edge, face, and corner-sharing TiGe7 pentagonal bipyramids. There are a spread of Ti–Ge bond distances ranging from 2.63–2.95 Å. In the second Ti site, Ti is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.50–2.86 Å. In the third Ti site, Ti is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Ti–Ge bond distances ranging from 2.59–2.74 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Ti and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ti atoms. In the third Ge site, Ge is bonded in a 7-coordinate geometry to seven Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3(GeRh)4 by Materials Project

La3Rh4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Rh and six Ge atoms. There are a spread of La–Rh bond distances ranging from 3.20–3.44 Å. There are two shorter (3.22 Å) and four longer (3.29 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Rh and eight equivalent Ge atoms to form a mixture of edge and face-sharing LaGe8Rh4 cuboctahedra. All La–Rh bond lengths are 3.31 Å. All La–Ge bond lengths are 3.25 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are two shorter (2.50 Å) and one longer (2.51 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded to four equivalent La and four equivalent Ge atoms to form a mixture of distorted edge and face-sharing RhLa4Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.51 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six La, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbNa2Ge17 by Materials Project

RbNa2Ge17 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight rubidium molecules and one Na2Ge17 framework. In the Na2Ge17 framework, Na is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Na–Ge bond distances ranging from 3.43–3.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to two equivalent Na and four Ge atoms to form a mixture of edge and corner-sharing GeNa2Ge4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.56 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to three equivalent Na and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 is Zirconium Disilicide-like structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Th–Ge bond distances ranging from 3.07–3.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Th and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.61 Å. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Ge4 by Materials Project

Er3Ge4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.97–3.08 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.87–3.16 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er and three Ge atoms. There are one shorter (2.61 Å) and two longer (2.84 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ge5 by Materials Project

Nd3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.06–3.49 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Nd–Ge bond distances ranging from 3.08–3.47 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.57–2.64 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Nd and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy4In(NiGe2)2 by Materials Project

Dy4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to three equivalent Ni, two equivalent In, and five Ge atoms. There are one shorter (2.98 Å) and two longer (3.31 Å) Dy–Ni bond lengths. Both Dy–In bond lengths are 3.35 Å. There are a spread of Dy–Ge bond distances ranging from 2.92–3.08 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. There are two shorter (3.04 Å) and one longer (3.06 Å) Dy–Ni bond lengths. Both Dy–In bond lengths are 3.41 Å. There are a spread of Dy–Ge bond distances ranging from 2.97–3.29 Å. Ni is bonded in a 10-coordinate geometry to six Dy and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.57 Å. In is bonded to eight Dy and four Ge atoms to form face-sharing InDy8Ge4 cuboctahedra. There are two shorter (2.88 Å) and two longer (3.14 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Dy, three equivalent Ni, and one In atom.

36 MATERIALS SCIENCE↗
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Materials Data on La3(GePd)4 by Materials Project

La3Pd4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Pd and six Ge atoms. There are a spread of La–Pd bond distances ranging from 3.33–3.41 Å. There are two shorter (3.28 Å) and four longer (3.30 Å) La–Ge bond lengths. In the second La site, La is bonded to four equivalent Pd and eight equivalent Ge atoms to form a mixture of face and edge-sharing LaGe8Pd4 cuboctahedra. All La–Pd bond lengths are 3.25 Å. All La–Ge bond lengths are 3.32 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to six La and three Ge atoms. There are two shorter (2.52 Å) and one longer (2.53 Å) Pd–Ge bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.60 Å) Pd–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to six La, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La and five Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Ge5 by Materials Project

Tb3Ge5 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.96–3.48 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.49 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tb and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.58–2.65 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Tb and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge5F12 by Materials Project

Ge5F12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ge+2.40+ sites. In the first Ge+2.40+ site, Ge+2.40+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.87–2.45 Å. In the second Ge+2.40+ site, Ge+2.40+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.79–1.88 Å. In the third Ge+2.40+ site, Ge+2.40+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.84–2.35 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two Ge+2.40+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ge+2.40+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two Ge+2.40+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.40+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ge+2.40+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.40+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGe3 by Materials Project

YGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Y–Ge bond distances ranging from 2.97–3.26 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Y and five equivalent Ge atoms. There are one shorter (2.51 Å) and four longer (2.83 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Y and five equivalent Ge atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Y and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å.

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