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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoGe2Ir by Materials Project

HoIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.23 Å) and two longer (3.29 Å) Ho–Ir bond lengths. There are a spread of Ho–Ge bond distances ranging from 2.95–3.51 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Ho–Ir bond lengths are 3.17 Å. There are a spread of Ho–Ge bond distances ranging from 3.25–3.41 Å. Ir is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Ho, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to five Ho and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoGeIr by Materials Project

HoIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Ho–Ir bond distances ranging from 3.03–3.29 Å. There are two shorter (2.98 Å) and three longer (3.02 Å) Ho–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Ge atoms. There are three shorter (2.56 Å) and one longer (2.63 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge3Ir2 by Materials Project

Ho3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Ho–Ir bond distances ranging from 2.98–3.28 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.24 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Ho–Ir bond lengths are 3.07 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.11 Å. Ir is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5(Ge5Ir2)2 by Materials Project

Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and four Ge atoms. Both Ho–Ir bond lengths are 3.16 Å. There are two shorter (2.78 Å) and two longer (2.82 Å) Ho–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to four Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four Ho and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four Ho and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4Ge9Ir13 by Materials Project

Ho4Ir13Ge9 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to ten Ir and six Ge atoms. There are a spread of Ho–Ir bond distances ranging from 3.06–3.51 Å. All Ho–Ge bond lengths are 3.12 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to ten Ir and six Ge atoms. There are a spread of Ho–Ir bond distances ranging from 3.16–3.53 Å. There are a spread of Ho–Ge bond distances ranging from 3.08–3.17 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to twelve Ir and six Ge atoms. There are a spread of Ho–Ir bond distances ranging from 3.16–3.53 Å. There are two shorter (3.08 Å) and four longer (3.13 Å) Ho–Ge bond lengths. There are eight inequivalent Ir sites. In the first Ir site, Ir is bonded to four Ho and four Ge atoms to form a mixture of distorted corner and edge-sharing IrHo4Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.50 Å) Ir–Ge bond lengths. In the second Ir site, Ir is bonded in a 3-coordinate geometry to six Ho and three Ge atoms. There are two shorter (2.41 Å) and one longer (2.43 Å) Ir–Ge bond lengths. In the third Ir site, Ir is bonded in a 5-coordinate geometry to two equivalent Ho and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.62 Å) Ir–Ge bond lengths. In the fourth Ir site, Ir is bonded in a 4-coordinate geometry to three Ho and four Ge atoms. There are two shorter (2.48 Å) and two longer (2.54 Å) Ir–Ge bond lengths. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to three Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.58 Å. In the sixth Ir site, Ir is bonded to four Ho and four Ge atoms to form a mixture of distorted corner, edge, and face-sharing IrHo4Ge4 tetrahedra. There are a spread of Ir–Ge bond distances ranging from 2.47–2.50 Å. In the seventh Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.43–2.63 Å. In the eighth Ir site, Ir is bonded in a 5-coordinate geometry to two Ho and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.61 Å) Ir–Ge bond lengths. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four Ho and five Ir atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ho and six Ir atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ir atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Ho and seven Ir atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ho and five Ir atoms. In the sixth Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ho and six Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5(Ge5Ir2)2 by Materials Project

Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.23 Å. There are eight shorter (2.97 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing HoGe8Ir4 cuboctahedra. All Ho–Ir bond lengths are 3.13 Å. There are a spread of Ho–Ge bond distances ranging from 2.91–3.10 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Ho–Ir bond lengths are 3.31 Å. There are a spread of Ho–Ge bond distances ranging from 3.27–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.59 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge13Ir4 by Materials Project

Ho3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Ho–Ir bond lengths are 3.19 Å. There are eight shorter (3.14 Å) and four longer (3.24 Å) Ho–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Ho, two equivalent Ir, and two Ge atoms. There are one shorter (2.65 Å) and one longer (3.09 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4Ge6Ir7 by Materials Project

Ho4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ho is bonded to six equivalent Ir and six equivalent Ge atoms to form HoGe6Ir6 cuboctahedra that share corners with twelve equivalent HoGe6Ir6 cuboctahedra, faces with six equivalent HoGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Ho–Ir bond lengths are 2.97 Å. All Ho–Ge bond lengths are 3.02 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent HoGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ho and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ho and five Ir atoms.

36 MATERIALS SCIENCE↗