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5 records
All sourcesNASA NTRSDOE OSTI
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.

36 MATERIALS SCIENCE↗
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 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↗
DOE OSTI2020

Materials Data on NiGe2 by Materials Project

NiGe2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ni is bonded in a 9-coordinate geometry to one Ni and eight Ge atoms. The Ni–Ni bond length is 2.52 Å. There are a spread of Ni–Ge bond distances ranging from 2.51–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Ni and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the second Ge site, Ge is bonded to four equivalent Ni atoms to form a mixture of distorted edge and corner-sharing GeNi4 tetrahedra.

36 MATERIALS SCIENCE↗