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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr3Tm3Mn23 by Materials Project

Tm3Pr3Mn23 crystallizes in the trigonal R3m 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 2.87–3.15 Å. Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.95–3.18 Å. There are eleven inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to one Tm, two equivalent Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.54–2.91 Å. In the second Mn site, Mn is bonded to two equivalent Tm, two equivalent Pr, and eight Mn atoms to form a mixture of corner and face-sharing MnPr2Tm2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.50–2.73 Å. In the third Mn site, Mn is bonded to two equivalent Tm, two equivalent Pr, and eight Mn atoms to form a mixture of corner and face-sharing MnPr2Tm2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.45–2.70 Å. In the fourth Mn site, Mn is bonded to three equivalent Pr and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPr3Mn9 cuboctahedra. There are three shorter (2.42 Å) and three longer (2.70 Å) Mn–Mn bond lengths. In the fifth Mn site, Mn is bonded to two equivalent Tm, one Pr, and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPrTm2Mn9 cuboctahedra. There are two shorter (2.47 Å) and three longer (2.70 Å) Mn–Mn bond lengths. In the sixth Mn site, Mn is bonded to three equivalent Tm and nine Mn atoms to form a mixture of distorted corner and face-sharing MnTm3Mn9 cuboctahedra. All Mn–Mn bond lengths are 2.46 Å. In the seventh Mn site, Mn is bonded in a distorted q6 geometry to one Tm, two equivalent Pr, and nine Mn atoms. There are two shorter (2.43 Å) and one longer (2.69 Å) Mn–Mn bond lengths. In the eighth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.56 Å. In the ninth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Pr and ten Mn atoms. In the tenth Mn site, Mn is bonded in a 4-coordinate geometry to two equivalent Tm, one Pr, and ten Mn atoms. The Mn–Mn bond length is 2.87 Å. In the eleventh Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Tm and ten Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Si3Pd by Materials Project

Tm2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing TmSi8Pd4 cuboctahedra. There are two shorter (2.99 Å) and two longer (3.16 Å) Tm–Pd bond lengths. There are four shorter (3.00 Å) and four longer (3.12 Å) Tm–Si bond lengths. In the second Tm site, Tm is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing TmSi12 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.05 Å) Tm–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Si atoms. All Pd–Si bond lengths are 2.39 Å. Si is bonded in a 1-coordinate geometry to six Tm, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.34 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmI3O11 by Materials Project

TmO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one TmO11I3 sheet oriented in the (0, 1, 0) direction. Tm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tm–O bond distances ranging from 2.30–2.37 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.75 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Tm and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Tm and one I atom. The O–I bond length is 1.85 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Tm and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Tm and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a 2-coordinate geometry to one Tm and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Tm and one I atom. The O–I bond length is 1.85 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Tm and one I atom. The O–I bond length is 1.84 Å. In the tenth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Tm atom. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to four O atoms. In the second I site, I is bonded in a 4-coordinate geometry to three O atoms. In the third I site, I is bonded in a trigonal non-coplanar geometry to three O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Ga8Co by Materials Project

Tm2CoGa8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with eight equivalent TmGa12 cuboctahedra, edges with twelve GaTm4Ga8 cuboctahedra, faces with five equivalent TmGa12 cuboctahedra, and faces with eight GaTm4Ga8 cuboctahedra. There are a spread of Tm–Ga bond distances ranging from 2.96–3.01 Å. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are six inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, edges with eight equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with twelve GaTm4Ga8 cuboctahedra. There are four shorter (2.98 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with eight equivalent GaTm4Ga8 cuboctahedra, edges with four equivalent TmGa12 cuboctahedra, edges with eight equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with nine GaTm4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. There are one shorter (2.56 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. The Ga–Ga bond length is 2.56 Å. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Tm bond lengths are 2.96 Å. All Ga–Ga bond lengths are 2.99 Å. In the sixth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Tm bond lengths are 2.96 Å. Both Ga–Ga bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAl7Fe5 by Materials Project

TmFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tm is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of Tm–Fe bond distances ranging from 3.19–3.34 Å. There are a spread of Tm–Al bond distances ranging from 2.87–3.20 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Tm, three Fe, and seven Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.48–2.66 Å. In the second Fe site, Fe is bonded to two equivalent Tm, four equivalent Fe, and six Al atoms to form distorted edge-sharing FeTm2Al6Fe4 cuboctahedra. There are a spread of Fe–Al bond distances ranging from 2.60–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Tm, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.70–2.84 Å. In the second Al site, Al is bonded in a 7-coordinate geometry to one Tm, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.89 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one Tm, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.79 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.68 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tm, five Fe, and five Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmIn7Cu5 by Materials Project

TmCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tm is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Tm–Cu bond distances ranging from 3.52–3.66 Å. There are a spread of Tm–In bond distances ranging from 3.13–3.54 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.73–2.84 Å. There are a spread of Cu–In bond distances ranging from 2.70–2.98 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.76–2.99 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to one Tm, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.17 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Tm, six Cu, and three In atoms. Both In–In bond lengths are 3.31 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Tm, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.05–3.12 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to two equivalent Tm, four equivalent Cu, and six In atoms. Both In–In bond lengths are 2.93 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Tm, five Cu, and five In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmFe5P3 by Materials Project

TmFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to ten Fe and six P atoms. There are a spread of Tm–Fe bond distances ranging from 2.92–3.10 Å. There are a spread of Tm–P bond distances ranging from 2.76–2.85 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.53 Å. In the second Fe site, Fe is bonded to three equivalent Tm and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeTm3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. In the third Fe site, Fe is bonded to three equivalent Tm and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeTm3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.19–2.34 Å. In the fourth Fe site, Fe is bonded to three equivalent Tm and four P atoms to form a mixture of distorted face, edge, and corner-sharing FeTm3P4 tetrahedra. There are one shorter (2.29 Å) and three longer (2.30 Å) Fe–P bond lengths. In the fifth Fe site, Fe is bonded to one Tm and four P atoms to form distorted FeTmP4 tetrahedra that share corners with nine FeTm3P4 tetrahedra, edges with five FeTmP4 tetrahedra, and faces with two equivalent FeTm3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.15–2.23 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Tm and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Tm and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Tm and seven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Functional characterization of adult human trabecular meshwork stem cells

We earlier identified native human trabecular meshwork stem cells (TMSCs) based on two-parameters- high ABCG2 expression and high nucleus to cytoplasmic ratio. The TMSCs also expressed p75 and AnkyrinG. Based on the high expression of ABCG2 and p75, the TMSCs were identified to be located in the Schwalbe's line region of the TM. In continuation, the current study aimed at elucidating the functional characteristics of human TMSCs. Upon culturing, only a small proportion of TM cells (0.96 ± 0.21% in <30 years) expressing stem cell markers ABCG2 and p75 adhered to the culture dish. This proportion significantly reduced with ageing (0.32 ± 0.23% in 30–60 years and 0.35 ± 0.04% in >60 years). Characterization of the primary TM cultures identified 7.00 ± 1.80% of stem cells with label retaining property. Further, cultured cells had the ability to form TM spheres (0.82 ± 0.23%) which consisted of high ABCG2 and p75 positive cells. Upon dexamethasone induction, 86.00 ± 14.87% and 64.60 ± 7.24% of the cells derived from the TM spheres expressed myocilin and exhibited cross linked actin networks respectively, indicating differentiation of the TMSCs in the sphere to TM cells. In addition, the sphere derived TM cells also possessed phagocytic potential (13.28 ± 3.30%) equivalent to primary TM cells (16.33 ± 4.04%) which was evident upon internalization of zymosan particles. In conclusion, this study has established that a proportion of cultured TM cells had the label retaining property as well as sphere forming ability of adult stem cells. Thus, these results confirm the presence of adult stem cells in the human TM that might be responsible for the maintenance of tissue homeostasis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Materials Data on TmSi3Rh5 by Materials Project

TmRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are a spread of Tm–Rh bond distances ranging from 3.05–3.12 Å. There are a spread of Tm–Si bond distances ranging from 3.05–3.09 Å. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.50 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.38–2.48 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.49 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tm and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.52 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Tm and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tm and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Tm and seven Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmAl by Materials Project

TmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.37 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tm and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlTm8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm5Ir3 by Materials Project

Tm5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to five Ir atoms to form distorted TmIr5 trigonal bipyramids that share corners with four equivalent TmIr4 tetrahedra, corners with eleven equivalent TmIr5 trigonal bipyramids, an edgeedge with one TmIr4 tetrahedra, edges with six equivalent TmIr5 trigonal bipyramids, and faces with two equivalent TmIr5 trigonal bipyramids. There are a spread of Tm–Ir bond distances ranging from 2.86–3.09 Å. In the second Tm site, Tm is bonded to four equivalent Ir atoms to form TmIr4 tetrahedra that share corners with sixteen equivalent TmIr5 trigonal bipyramids, edges with two equivalent TmIr4 tetrahedra, and edges with four equivalent TmIr5 trigonal bipyramids. All Tm–Ir bond lengths are 2.82 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Tm atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm5In4 by Materials Project

Tm5In4 crystallizes in the hexagonal P6_3/mcm 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 six equivalent In atoms. All Tm–In bond lengths are 3.33 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven In atoms. There are a spread of Tm–In bond distances ranging from 3.10–3.40 Å. There are two inequivalent In sites. In the first In site, In is bonded to six equivalent Tm atoms to form distorted face-sharing InTm6 octahedra. In the second In site, In is bonded in a 9-coordinate geometry to nine Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2ReC2 by Materials Project

Tm2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to five C atoms to form a mixture of corner and edge-sharing TmC5 square pyramids. There are a spread of Tm–C bond distances ranging from 2.46–2.55 Å. In the second Tm site, Tm is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Tm–C bond distances ranging from 2.50–2.59 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.93–2.02 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Tm and two equivalent Re atoms to form a mixture of corner and edge-sharing CTm4Re2 octahedra. The corner-sharing octahedra tilt angles range from 10–39°. In the second C site, C is bonded to five Tm and one Re atom to form a mixture of corner and edge-sharing CTm5Re octahedra. The corner-sharing octahedra tilt angles range from 3–39°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(Si3Pd10)2 by Materials Project

Tm3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Tm–Pd bond lengths are 2.82 Å. In the second Tm site, Tm is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Tm–Pd bond lengths are 2.99 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Tm and three equivalent Si atoms to form a mixture of corner and edge-sharing PdTmSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Tm and two equivalent Si atoms. Both Pd–Si bond lengths are 2.42 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2(Al3Pd)3 by Materials Project

Tm2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six Pd and eleven Al atoms. There are two shorter (3.44 Å) and four longer (3.47 Å) Tm–Pd bond lengths. There are a spread of Tm–Al bond distances ranging from 3.04–3.19 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.56–2.66 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.65 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Pd atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm, three Pd, and one Al atom. The Al–Al bond length is 2.86 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tm, three Pd, and five Al atoms. There are one shorter (2.80 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm, two equivalent Pd, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2(Al3Ir)3 by Materials Project

Tm2(IrAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to six Ir and eleven Al atoms. There are a spread of Tm–Ir bond distances ranging from 3.41–3.45 Å. There are a spread of Tm–Al bond distances ranging from 3.03–3.13 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.55–2.62 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Tm and eight Al atoms. There are a spread of Ir–Al bond distances ranging from 2.54–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Ir atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm and three Ir atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tm and three Ir atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tm and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyTmFe14B by Materials Project

TmDyFe14B is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to sixteen Fe and one B atom. There are a spread of Tm–Fe bond distances ranging from 3.02–3.35 Å. The Tm–B bond length is 2.82 Å. Dy is bonded in a 10-coordinate geometry to sixteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.99–3.18 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted water-like geometry to two equivalent Dy, four Fe, and two equivalent B atoms. There are two shorter (2.50 Å) and two longer (2.74 Å) Fe–Fe bond lengths. Both Fe–B bond lengths are 2.08 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to one Tm, one Dy, and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.36–2.62 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Tm, one Dy, and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.62–2.77 Å. In the fourth Fe site, Fe is bonded in a distorted single-bond geometry to one Tm, one Dy, seven Fe, and one B atom. There are one shorter (2.53 Å) and one longer (2.59 Å) Fe–Fe bond lengths. The Fe–B bond length is 2.05 Å. In the fifth Fe site, Fe is bonded to two equivalent Tm, two equivalent Dy, and eight Fe atoms to form FeDy2Tm2Fe8 cuboctahedra that share corners with twelve FeDy2Tm2Fe8 cuboctahedra and faces with four equivalent FeDyTm2Fe9 cuboctahedra. In the sixth Fe site, Fe is bonded to two equivalent Tm, one Dy, and nine Fe atoms to form distorted FeDyTm2Fe9 cuboctahedra that share corners with eight FeDy2Tm2Fe8 cuboctahedra, an edgeedge with one FeDyTm2Fe9 cuboctahedra, and faces with four FeDy2Tm2Fe8 cuboctahedra. The Fe–Fe bond length is 2.38 Å. B is bonded in a 6-coordinate geometry to one Tm and six Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(P3Pd10)2 by Materials Project

Tm3(Pd10P3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to sixteen Pd atoms to form distorted TmPd16 tetrahedra that share edges with six equivalent TmPd16 tetrahedra and faces with four equivalent TmPd12 cuboctahedra. There are four shorter (2.83 Å) and twelve longer (3.34 Å) Tm–Pd bond lengths. In the second Tm site, Tm is bonded to twelve equivalent Pd atoms to form distorted face-sharing TmPd12 cuboctahedra. All Tm–Pd bond lengths are 2.98 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to one Tm, six equivalent Pd, and three equivalent P atoms. All Pd–Pd bond lengths are 3.03 Å. All Pd–P bond lengths are 2.49 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to three Tm, nine Pd, and two equivalent P atoms. There are one shorter (2.70 Å) and four longer (2.98 Å) Pd–Pd bond lengths. Both Pd–P bond lengths are 2.39 Å. P is bonded in a 9-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗