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At least 1,171 records · Page 65
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DOE OSTI2020

Materials Data on TmSbIr by Materials Project

TmIrSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to five equivalent Ir and six equivalent Sb atoms. There are one shorter (2.96 Å) and four longer (3.18 Å) Tm–Ir bond lengths. There are a spread of Tm–Sb bond distances ranging from 3.15–3.39 Å. Ir is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Sb atoms. There are a spread of Ir–Sb bond distances ranging from 2.67–2.76 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTi2Ir by Materials Project

LiTi2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Ir atoms. All Li–Ti bond lengths are 2.69 Å. All Li–Ir bond lengths are 3.11 Å. Ti is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Ti–Ir bond lengths are 2.69 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaYIr2 by Materials Project

LaYIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LaYIr2 ribbons oriented in the (1, 0, 0) direction. La is bonded in a linear geometry to two equivalent Ir atoms. Both La–Ir bond lengths are 2.43 Å. Y is bonded in a linear geometry to two equivalent Ir atoms. Both Y–Ir bond lengths are 2.58 Å. Ir is bonded in a linear geometry to one La and one Y atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Sn13Ir4 by Materials Project

Eu3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Eu–Ir bond lengths are 3.50 Å. All Eu–Sn bond lengths are 3.49 Å. Ir is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Eu, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMnIr2 by Materials Project

HfMnIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Hf–Ir bond lengths are 2.75 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Mn–Ir bond lengths are 2.75 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiGeIr by Materials Project

TiIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Ti–Ir bond distances ranging from 2.90–2.98 Å. There are a spread of Ti–Ge bond distances ranging from 2.73–2.79 Å. Ir is bonded in a 12-coordinate geometry to six equivalent Ti and four equivalent Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfMnIr2 by Materials Project

HfMnIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfMnIr2 ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Ir atoms. Both Hf–Ir bond lengths are 2.26 Å. Mn is bonded in a linear geometry to two equivalent Ir atoms. Both Mn–Ir bond lengths are 2.48 Å. Ir is bonded in a linear geometry to one Hf and one Mn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeVIr2 by Materials Project

BeVIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeVIr2 ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ir atoms. Both Be–Ir bond lengths are 2.27 Å. V is bonded in a linear geometry to two equivalent Ir atoms. Both V–Ir bond lengths are 2.06 Å. Ir is bonded in a linear geometry to one Be and one V atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Ge13Ir4 by Materials Project

Yb3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Yb–Ir bond lengths are 3.20 Å. There are eight shorter (3.15 Å) and four longer (3.26 Å) Yb–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Yb, two equivalent Ir, and two Ge atoms. There are one shorter (2.62 Å) and one longer (3.07 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 Yb5Ir3 by Materials Project

Yb5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Ir atoms. All Yb–Ir bond lengths are 2.96 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Yb–Ir bond distances ranging from 2.83–3.17 Å. Ir is bonded in a 9-coordinate geometry to nine Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Ge13Ir4 by Materials Project

Gd3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Gd–Ir bond lengths are 3.21 Å. There are eight shorter (3.15 Å) and four longer (3.26 Å) Gd–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Gd, 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 Ho5(Si5Ir2)2 by Materials Project

Ho5(Ir2Si5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to twelve Si+3.20- atoms to form distorted HoSi12 cuboctahedra that share corners with eight equivalent IrSi5 trigonal bipyramids, edges with eight equivalent HoSi8 hexagonal bipyramids, faces with two equivalent HoSi12 cuboctahedra, and faces with four equivalent IrSi5 trigonal bipyramids. There are eight shorter (2.91 Å) and four longer (3.27 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded to eight Si+3.20- atoms to form distorted HoSi8 hexagonal bipyramids that share corners with four equivalent IrSi5 trigonal bipyramids, edges with four equivalent HoSi12 cuboctahedra, faces with two equivalent HoSi8 hexagonal bipyramids, and faces with four equivalent IrSi5 trigonal bipyramids. There are a spread of Ho–Si bond distances ranging from 2.89–3.03 Å. In the third Ho3+ site, Ho3+ is bonded in a distorted q4 geometry to ten Si+3.20- atoms. There are a spread of Ho–Si bond distances ranging from 3.19–3.24 Å. Ir+4.25+ is bonded to five Si+3.20- atoms to form distorted IrSi5 trigonal bipyramids that share corners with two equivalent HoSi12 cuboctahedra, corners with two equivalent HoSi8 hexagonal bipyramids, corners with five equivalent IrSi5 trigonal bipyramids, a faceface with one HoSi12 cuboctahedra, and faces with two equivalent HoSi8 hexagonal bipyramids. There are a spread of Ir–Si bond distances ranging from 2.39–2.50 Å. There are three inequivalent Si+3.20- sites. In the first Si+3.20- site, Si+3.20- is bonded in a 9-coordinate geometry to six Ho3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.34 Å. In the second Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to five Ho3+, two equivalent Ir+4.25+, and one Si+3.20- atom. The Si–Si bond length is 2.42 Å. In the third Si+3.20- site, Si+3.20- is bonded in a 2-coordinate geometry to four Ho3+, two equivalent Ir+4.25+, and two equivalent Si+3.20- atoms. Both Si–Si bond lengths are 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ir by Materials Project

Nd3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Nd3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (2.96 Å) Nd–Ir bond lengths. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.99 Å) Nd–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Ge13Ir4 by Materials Project

Nd3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Nd–Ir bond lengths are 3.23 Å. There are eight shorter (3.18 Å) and four longer (3.27 Å) Nd–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Nd, two equivalent Ir, and two Ge atoms. There are one shorter (2.67 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 YGeIr by Materials Project

YIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Y–Ir bond distances ranging from 3.05–3.29 Å. There are two shorter (2.97 Å) and three longer (3.04 Å) Y–Ge bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ge atoms. There are three shorter (2.56 Å) and one longer (2.65 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBeIr2 by Materials Project

BeHfIr2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two BeHfIr2 ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to two equivalent Ir atoms. Both Be–Ir bond lengths are 2.21 Å. Hf is bonded in a linear geometry to two equivalent Ir atoms. Both Hf–Ir bond lengths are 2.28 Å. Ir is bonded in a linear geometry to one Be and one Hf atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Ir by Materials Project

Y3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.77 Å) and one longer (2.87 Å) Y–Ir bond lengths. In the second Y site, Y is bonded in a 2-coordinate geometry to three equivalent Ir atoms. There are a spread of Y–Ir bond distances ranging from 2.87–3.25 Å. Ir is bonded in a 6-coordinate geometry to eight Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sn13Ir4 by Materials Project

Ca3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Ca–Ir bond lengths are 3.48 Å. There are four shorter (3.47 Å) and eight longer (3.48 Å) Ca–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.34 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗