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At least 595 records · Page 33
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DOE OSTI2020

Materials Data on Tm15C19 by Materials Project

Tm15C19 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are five inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six C+2.37- atoms to form a mixture of edge and corner-sharing TmC6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Tm–C bond distances ranging from 2.46–2.63 Å. In the second Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven C+2.37- atoms. There are a spread of Tm–C bond distances ranging from 2.28–2.73 Å. In the third Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven C+2.37- atoms. There are a spread of Tm–C bond distances ranging from 2.29–2.76 Å. In the fourth Tm3+ site, Tm3+ is bonded to six C+2.37- atoms to form a mixture of edge and corner-sharing TmC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Tm–C bond distances ranging from 2.54–2.58 Å. In the fifth Tm3+ site, Tm3+ is bonded to six C+2.37- atoms to form a mixture of edge and corner-sharing TmC6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.49 Å) and four longer (2.56 Å) Tm–C bond lengths. There are six inequivalent C+2.37- sites. In the first C+2.37- site, C+2.37- is bonded to six Tm3+ atoms to form CTm6 octahedra that share corners with six CTm6 octahedra and edges with twelve CTm5C octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second C+2.37- site, C+2.37- is bonded to five Tm3+ and one C+2.37- atom to form distorted CTm5C octahedra that share corners with seven CTm5C octahedra and edges with eight CTm6 octahedra. The corner-sharing octahedra tilt angles range from 0–90°. The C–C bond length is 1.34 Å. In the third C+2.37- site, C+2.37- is bonded in a 6-coordinate geometry to four Tm3+ and two C+2.37- atoms. The C–C bond length is 1.34 Å. In the fourth C+2.37- site, C+2.37- is bonded to five Tm3+ and one C+2.37- atom to form distorted CTm5C octahedra that share corners with seven CTm5C octahedra and edges with eight CTm6 octahedra. The corner-sharing octahedra tilt angles range from 2–91°. In the fifth C+2.37- site, C+2.37- is bonded to six Tm3+ atoms to form a mixture of edge and corner-sharing CTm6 octahedra. The corner-sharing octahedra tilt angles range from 0–91°. In the sixth C+2.37- site, C+2.37- is bonded to six Tm3+ atoms to form a mixture of edge and corner-sharing CTm6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmZn12 by Materials Project

TmZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to twenty Zn atoms. There are a spread of Tm–Zn bond distances ranging from 3.08–3.37 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tm and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnTm2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.72 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Tm and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.95 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Tm and nine Zn atoms. The Zn–Zn bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmMnIn by Materials Project

TmMnIn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to six equivalent Mn and six equivalent In atoms to form a mixture of distorted edge and face-sharing TmMn6In6 cuboctahedra. All Tm–Mn bond lengths are 3.24 Å. All Tm–In bond lengths are 3.24 Å. Mn is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent In atoms. All Mn–In bond lengths are 2.74 Å. In is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2CuRh by Materials Project

Tm2RhCu 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 Rh and four equivalent Cu atoms. All Tm–Rh bond lengths are 2.94 Å. All Tm–Cu bond lengths are 2.94 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Ge13Ru4 by Materials Project

Tm3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Tm–Ru bond lengths are 3.19 Å. There are eight shorter (3.15 Å) and four longer (3.21 Å) Tm–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.49 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Tm, two equivalent Ru, and two Ge atoms. There are one shorter (2.67 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 TmMn6InSn5 by Materials Project

TmMn6Sn5In crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to eight Sn atoms to form edge-sharing TmSn8 hexagonal bipyramids. There are two shorter (3.01 Å) and six longer (3.12 Å) Tm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to one In and five Sn atoms. The Mn–In bond length is 2.78 Å. There are a spread of Mn–Sn bond distances ranging from 2.71–2.82 Å. In is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Sn atoms. All In–Sn bond lengths are 3.12 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Tm and six equivalent Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGePt by Materials Project

TmPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Tm–Pt bond distances ranging from 2.95–3.33 Å. There are a spread of Tm–Ge bond distances ranging from 3.00–3.22 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.72 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm6Mn23 by Materials Project

Tm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.91–3.02 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Tm and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the third Mn site, Mn is bonded to four equivalent Tm and eight Mn atoms to form a mixture of face and corner-sharing MnTm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.60 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Mn atoms. All Mn–Mn bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmBiPt by Materials Project

TmPtBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded to four equivalent Pt and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing TmBi6Pt4 tetrahedra. All Tm–Pt bond lengths are 2.90 Å. All Tm–Bi bond lengths are 3.35 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Bi atoms. All Pt–Bi bond lengths are 2.90 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSiPd2 by Materials Project

TmPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 2.96–3.18 Å. There are two shorter (2.96 Å) and one longer (3.00 Å) Tm–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Tm and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.48–2.61 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmPd2Pb by Materials Project

TmPd2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Pd and six equivalent Pb atoms. All Tm–Pd bond lengths are 2.97 Å. All Tm–Pb bond lengths are 3.43 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Tm and four equivalent Pb atoms. All Pd–Pb bond lengths are 2.97 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac3Tm by Materials Project

Ac3Tm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with twelve equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra. There are four shorter (3.86 Å) and four longer (3.88 Å) Ac–Ac bond lengths. All Ac–Tm bond lengths are 3.86 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with four equivalent AcAc8Tm4 cuboctahedra, corners with eight equivalent TmAc12 cuboctahedra, edges with twenty-four AcAc8Tm4 cuboctahedra, faces with six equivalent TmAc12 cuboctahedra, and faces with twelve AcAc8Tm4 cuboctahedra. All Ac–Tm bond lengths are 3.88 Å. Tm is bonded to twelve Ac atoms to form TmAc12 cuboctahedra that share corners with four equivalent TmAc12 cuboctahedra, corners with eight equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen equivalent AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGeAu by Materials Project

TmAuGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ge atoms. There are three shorter (2.98 Å) and three longer (3.32 Å) Tm–Au bond lengths. There are three shorter (2.96 Å) and three longer (3.34 Å) Tm–Ge bond lengths. Au is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Ge atoms. There are three shorter (2.64 Å) and one longer (2.99 Å) Au–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Tm and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSbRh2 by Materials Project

TmRh2Sb 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 eight equivalent Rh and six equivalent Sb atoms. All Tm–Rh bond lengths are 2.87 Å. All Tm–Sb bond lengths are 3.31 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.87 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Tm and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmGaNi2 by Materials Project

TmNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Tm–Ni bond lengths are 2.69 Å. All Tm–Ga bond lengths are 3.11 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.69 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Tm and eight equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5(TmI4)3 by Materials Project

K5(TmI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to six equivalent I atoms to form distorted KI6 pentagonal pyramids that share corners with six equivalent TmI6 octahedra and faces with two equivalent KI6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 71°. All K–I bond lengths are 3.65 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of K–I bond distances ranging from 3.55–3.74 Å. Tm is bonded to six I atoms to form TmI6 octahedra that share corners with four equivalent KI6 pentagonal pyramids and edges with two equivalent TmI6 octahedra. There are four shorter (3.05 Å) and two longer (3.09 Å) Tm–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to two equivalent K and two equivalent Tm atoms. In the second I site, I is bonded in a 3-coordinate geometry to one K and two equivalent Tm atoms. In the third I site, I is bonded to four K and one Tm atom to form a mixture of distorted corner and edge-sharing IK4Tm trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Pt4 by Materials Project

Tm3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Tm–Pt bond distances ranging from 2.85–3.25 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Tm atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Tm atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Tm and three equivalent Pt atoms. There are one shorter (2.85 Å) and two longer (2.95 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2NiPt by Materials Project

Tm2PtNi 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 Pt and four equivalent Ni atoms. All Tm–Pt bond lengths are 2.93 Å. All Tm–Ni bond lengths are 2.93 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗