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At least 1,045 records · Page 58
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DOE OSTI2020

Materials Data on LiTm2Br5 by Materials Project

LiTm2Br5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li is bonded in a linear geometry to two equivalent Br atoms. Both Li–Br bond lengths are 2.59 Å. Tm is bonded to six Br atoms to form a mixture of face, edge, and corner-sharing TmBr6 octahedra. The corner-sharing octahedra tilt angles range from 31–54°. There are a spread of Tm–Br bond distances ranging from 2.75–2.93 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four equivalent Tm atoms. In the second Br site, Br is bonded in a distorted bent 120 degrees geometry to one Li and one Tm atom. In the third Br site, Br is bonded in a distorted T-shaped geometry to three equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiGe by Materials Project

TmNiGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Tm–Ni bond distances ranging from 2.93–3.22 Å. There are a spread of Tm–Ge bond distances ranging from 2.96–3.15 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tm, one Ni, and three equivalent Ge atoms. The Ni–Ni bond length is 2.64 Å. There are two shorter (2.39 Å) and one longer (2.59 Å) Ni–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tm, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.71 Å.

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DOE OSTI2020

Materials Data on TmBiRh by Materials Project

TmRhBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to six equivalent Rh and four equivalent Bi atoms. All Tm–Rh bond lengths are 3.36 Å. All Tm–Bi bond lengths are 2.91 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Bi atoms. All Rh–Bi bond lengths are 2.91 Å. Bi is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2InHg by Materials Project

Tm2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Tm–Hg bond lengths are 3.21 Å. All Tm–In bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. In is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmIn2Sn by Materials Project

TmIn2Sn is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to eight equivalent In and four equivalent Sn atoms to form TmIn8Sn4 cuboctahedra that share corners with twelve equivalent TmIn8Sn4 cuboctahedra, edges with eight equivalent SnTm4In8 cuboctahedra, edges with sixteen equivalent InTm4In4Sn4 cuboctahedra, faces with four equivalent SnTm4In8 cuboctahedra, faces with six equivalent TmIn8Sn4 cuboctahedra, and faces with eight equivalent InTm4In4Sn4 cuboctahedra. All Tm–In bond lengths are 3.31 Å. All Tm–Sn bond lengths are 3.23 Å. In is bonded to four equivalent Tm, four equivalent In, and four equivalent Sn atoms to form InTm4In4Sn4 cuboctahedra that share corners with twelve equivalent InTm4In4Sn4 cuboctahedra, edges with eight equivalent TmIn8Sn4 cuboctahedra, edges with eight equivalent InTm4In4Sn4 cuboctahedra, edges with eight equivalent SnTm4In8 cuboctahedra, faces with four equivalent TmIn8Sn4 cuboctahedra, faces with four equivalent SnTm4In8 cuboctahedra, and faces with ten equivalent InTm4In4Sn4 cuboctahedra. All In–In bond lengths are 3.23 Å. All In–Sn bond lengths are 3.31 Å. Sn is bonded to four equivalent Tm and eight equivalent In atoms to form SnTm4In8 cuboctahedra that share corners with twelve equivalent SnTm4In8 cuboctahedra, edges with eight equivalent TmIn8Sn4 cuboctahedra, edges with sixteen equivalent InTm4In4Sn4 cuboctahedra, faces with four equivalent TmIn8Sn4 cuboctahedra, faces with six equivalent SnTm4In8 cuboctahedra, and faces with eight equivalent InTm4In4Sn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTm2Ga by Materials Project

LiTm2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. All Li–Tm bond lengths are 3.08 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Tm–Ga bond lengths are 3.08 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGaPd by Materials Project

TmPdGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to five equivalent Pd and six equivalent Ga atoms. There are a spread of Tm–Pd bond distances ranging from 2.88–3.07 Å. There are a spread of Tm–Ga bond distances ranging from 3.07–3.21 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.60–2.72 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(AlNi3)2 by Materials Project

Tm3(Ni3Al)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Al atoms. There are four shorter (2.77 Å) and four longer (2.98 Å) Tm–Ni bond lengths. All Tm–Al bond lengths are 3.16 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Tm, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.56 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a distorted hexagonal planar geometry to six equivalent Tm and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2MgCd by Materials Project

MgTm2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. All Mg–Tm bond lengths are 3.22 Å. Tm is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Tm–Cd bond lengths are 3.22 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2TcAg by Materials Project

Tm2TcAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Ag atoms. All Tm–Tc bond lengths are 3.01 Å. All Tm–Ag bond lengths are 3.01 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmZr3 by Materials Project

TmZr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve Zr atoms to form TmZr12 cuboctahedra that share corners with six equivalent TmZr12 cuboctahedra, corners with twelve ZrTm4Zr8 cuboctahedra, edges with eighteen ZrTm4Zr8 cuboctahedra, faces with eight equivalent TmZr12 cuboctahedra, and faces with twelve ZrTm4Zr8 cuboctahedra. There are six shorter (3.26 Å) and six longer (3.32 Å) Tm–Zr bond lengths. There are three inequivalent Zr sites. In the first Zr site, Zr is bonded to four equivalent Tm and eight Zr atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent TmZr12 cuboctahedra, corners with fourteen ZrTm4Zr8 cuboctahedra, edges with six equivalent TmZr12 cuboctahedra, edges with twelve ZrTm4Zr8 cuboctahedra, faces with four equivalent TmZr12 cuboctahedra, and faces with sixteen ZrTm4Zr8 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.20–3.40 Å. In the second Zr site, Zr is bonded to four equivalent Tm and eight Zr atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent TmZr12 cuboctahedra, corners with fourteen ZrTm4Zr8 cuboctahedra, edges with six equivalent TmZr12 cuboctahedra, edges with twelve ZrTm4Zr8 cuboctahedra, faces with four equivalent TmZr12 cuboctahedra, and faces with sixteen ZrTm4Zr8 cuboctahedra. Both Zr–Zr bond lengths are 3.20 Å. In the third Zr site, Zr is bonded to four equivalent Tm and eight Zr atoms to form ZrTm4Zr8 cuboctahedra that share corners with four equivalent TmZr12 cuboctahedra, corners with fourteen ZrTm4Zr8 cuboctahedra, edges with six equivalent TmZr12 cuboctahedra, edges with twelve ZrTm4Zr8 cuboctahedra, faces with four equivalent TmZr12 cuboctahedra, and faces with sixteen ZrTm4Zr8 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.20–3.40 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm6Zn23 by Materials Project

Tm6Zn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.07–3.20 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Tm and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.82 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the third Zn site, Zn is bonded to four equivalent Tm and eight Zn atoms to form a mixture of face and corner-sharing ZnTm4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.76 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Zn atoms. All Zn–Zn bond lengths are 3.07 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiSn4 by Materials Project

TmNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.20–3.42 Å. Ni is bonded in a distorted body-centered cubic geometry to one Ni and eight Sn atoms. The Ni–Ni bond length is 2.86 Å. There are a spread of Ni–Sn bond distances ranging from 2.62–2.79 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and five Sn atoms. There are one shorter (3.06 Å) and four longer (3.15 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Tm and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.98 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Ni, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2GaCu by Materials Project

Tm2CuGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Ga atoms. All Tm–Cu bond lengths are 3.00 Å. All Tm–Ga bond lengths are 3.00 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSiIr by Materials Project

TmIrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Si atoms. There are a spread of Tm–Ir bond distances ranging from 2.98–3.22 Å. There are two shorter (2.89 Å) and three longer (2.97 Å) Tm–Si bond lengths. Ir is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Si atoms. There are a spread of Ir–Si bond distances ranging from 2.47–2.58 Å. Si is bonded in a 9-coordinate geometry to five equivalent Tm and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAlGa by Materials Project

TmGaAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to six equivalent Ga and six equivalent Al atoms. There are a spread of Tm–Ga bond distances ranging from 3.07–3.45 Å. There are a spread of Tm–Al bond distances ranging from 3.11–3.37 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Tm, one Ga, and three equivalent Al atoms. The Ga–Ga bond length is 2.73 Å. There are two shorter (2.58 Å) and one longer (2.81 Å) Ga–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Tm, three equivalent Ga, and one Al atom. The Al–Al bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmZn3 by Materials Project

TmZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to fourteen Zn atoms. There are a spread of Tm–Zn bond distances ranging from 2.96–3.42 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Tm and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.75 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Tm and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.05 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Tm and six Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGe3 by Materials Project

TmGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.94–3.23 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tm and five equivalent Ge atoms. There are one shorter (2.50 Å) and four longer (2.82 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six equivalent Tm and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to two equivalent Tm and five equivalent Ge atoms.

36 MATERIALS SCIENCE↗