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At least 37 records · Page 2

Materials Data on Lu(CuSn)2 by Materials Project

Lu(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. All Lu–Cu bond lengths are 3.34 Å. There are four shorter (3.24 Å) and four longer (3.64 Å) Lu–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Lu, four equivalent Cu, and four equivalent Sn atoms. All Cu–Cu bond lengths are 3.04 Å. All Cu–Sn bond lengths are 2.60 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Lu and five Sn atoms. There are one shorter (2.47 Å) and four longer (2.66 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Lu and four equivalent Cu atoms to form a mixture of distorted edge and face-sharing SnLu4Cu4 tetrahedra. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Lu and five Cu atoms.

36 MATERIALS SCIENCE↗

Comparative study of computational efficiency of two LU schemes for non-equilibrium reacting flows

The systems of equations governing chemically nonequilibrium flows are solved numerically by two lower-upper(LU) algorithms, namely, LU-SSOR (Yoon and Jameson, 1987) and LU-SW (Steger and Warming, 1981). The methods of flux-Jacobian splitting differentiate the two LU algorithms. The LU-SSOR gives a simpler implicit operator with less temporal damping, while the LU-SW converges faster but requires more computation for each iteration. Relative efficiencies and mutual merits of these two LU algorithms are compared. The results show that LU-SW with upwind-differenced right-hand-side gives the best convergence.

Tsai, Y.-L. Peter↗

Materials Data on Lu(FeGe)6 by Materials Project

Lu(FeGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Fe and eight Ge atoms to form distorted face-sharing LuFe12Ge8 hexagonal bipyramids. All Lu–Fe bond lengths are 3.26 Å. There are two shorter (2.81 Å) and six longer (2.94 Å) Lu–Ge bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Ge atoms. All Fe–Fe bond lengths are 2.55 Å. There are four shorter (2.51 Å) and two longer (2.66 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Lu, six equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Fe atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu(Al2Cu)4 by Materials Project

Lu(CuAl2)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Lu–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.19 Å) Lu–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.55 Å. There are four shorter (2.57 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Cu, 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 12-coordinate geometry to two equivalent Lu, four equivalent Cu, and four equivalent Al atoms.

36 MATERIALS SCIENCE↗

Measurements and computational analysis of the natural decay of 176 Lu

Background: Mainly because of its long half-life and despite its scientific relevance, spectroscopic measurements of 176 Lu forbidden β decays are very limited and lack formulation of shape factors. A direct precise measurement of its Q value is also presently unreported. In addition, the description of forbidden decays provides interesting challenges for nuclear theory. The comparison of precise experimental results with theoretical calculations for these decays can help to test underlying models and can aid the interpretation of data from other experiments. Purpose: Perform the first precision measurements of 176 Lu β-decay spectra and attempt the observation of its electron capture decays, as well as perform the first precision direct measurement of the 176 Lu β-decay Q value. Compare the shape of the precisely determined experimental β spectra to theoretical calculations, and compare the end point energy to that obtained from an independent Q value measurement. Method: Here, the 176 Lu β-decay spectra measurements and the search for electron capture decays were performed with an experimental setup that employed lutetium-containing scintillator crystals and a NaI(Tl) spectrometer for coincidence counting. The β decay Q value was determined via high-precision Penning trap mass spectrometry (PTMS) with the LEBIT facility at the National Superconducting Cyclotron Laboratory. The β-spectrum calculations were performed within the Fermi theory formalism with nuclear structure effects calculated using a shell model approach. Results: Both β transitions of 176 Lu were experimentally observed and corresponding shape factors formulated in their entire energy ranges. The search for electron capture decay branches led to an experimental upper limit of 6.3×10 –6 relative to its β decays. The 176 Lu β-decay and electron capture Q values were measured using PTMS to be 1193.0(6) and 108.9(8) keV, respectively. This enabled precise β end point energies of 596.2(6) and 195.3(6) keV to be determined for the primary and secondary β decays, respectively. The conserved vector current hypothesis was applied to calculate the relativistic vector matrix elements. The β-spectrum shape was shown to significantly depend on the Coulomb displacement energy and on the value of the axial vector coupling constant gA, which was extracted according to different assumptions. Conclusion: The implemented self-scintillation method has provided unmatched observations of 176 Lu, independently validated by the first direct measurements of its β-decay Q value by Penning trap mass spectrometry. Theoretical study of the main β transition led to the extraction of very different effective gA and log10f values, showing that a high-precision description of this transition would require a realistic nuclear structure with nucleus deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Materials Data on Lu(BC)2 by Materials Project

Lu(BC)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Lu–B bond lengths are 2.69 Å. All Lu–C bond lengths are 2.63 Å. B is bonded in a distorted trigonal planar geometry to four equivalent Lu and three equivalent C atoms. There is one shorter (1.52 Å) and two longer (1.59 Å) B–C bond length. C is bonded in a 3-coordinate geometry to four equivalent Lu and three equivalent B atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu(Al2Fe)4 by Materials Project

LuFe4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to eight equivalent Fe and twelve Al atoms. All Lu–Fe bond lengths are 3.31 Å. There are four shorter (2.94 Å) and eight longer (3.14 Å) Lu–Al bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Lu, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.51 Å. There are four shorter (2.51 Å) and four longer (2.62 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.80 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(FeB)2 by Materials Project

Lu(FeB)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Fe and eight equivalent B atoms. All Lu–Fe bond lengths are 2.89 Å. All Lu–B bond lengths are 2.66 Å. Fe is bonded to four equivalent Lu and four equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing FeLu4B4 tetrahedra. All Fe–B bond lengths are 2.16 Å. B is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Fe, and one B atom. The B–B bond length is 2.05 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(NiGe)2 by Materials Project

Lu(NiGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Lu–Ni bond lengths are 3.16 Å. All Lu–Ge bond lengths are 3.10 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.47 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(CoGe)2 by Materials Project

Lu(CoGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Lu–Co bond lengths are 3.19 Å. All Lu–Ge bond lengths are 3.05 Å. Co is bonded to four equivalent Lu and four equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoLu4Ge4 tetrahedra. All Co–Ge bond lengths are 2.32 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(BRh)4 by Materials Project

Lu(RhB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are a spread of Lu–Rh bond distances ranging from 2.90–3.25 Å. There are a spread of Lu–B bond distances ranging from 2.95–3.25 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are a spread of Rh–B bond distances ranging from 2.18–2.26 Å. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(Mg4Al3)4 by Materials Project

Lu(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Lu, and six equivalent Al atoms. All Mg–Mg bond lengths are 3.03 Å. The Mg–Lu bond length is 3.24 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are two shorter (3.11 Å) and four longer (3.16 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.87–3.17 Å. Lu is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Lu–Al bond lengths are 3.21 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Lu, and three equivalent Al atoms. There are one shorter (2.69 Å) and two longer (2.77 Å) Al–Al bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Lu(BC)2 by Materials Project

Lu(BC)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent B and eight equivalent C atoms. All Lu–B bond lengths are 2.69 Å. All Lu–C bond lengths are 2.66 Å. B is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent C atoms. Both B–C bond lengths are 1.60 Å. C is bonded in a 2-coordinate geometry to four equivalent Lu, two equivalent B, and one C atom. The C–C bond length is 1.42 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(FeSn)6 by Materials Project

LuFe6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Fe and eight Sn atoms to form distorted LuFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent FeLu2Fe4Sn6 cuboctahedra and faces with six equivalent LuFe12Sn8 hexagonal bipyramids. All Lu–Fe bond lengths are 3.48 Å. There are two shorter (3.01 Å) and six longer (3.12 Å) Lu–Sn bond lengths. Fe is bonded to two equivalent Lu, four equivalent Fe, and six Sn atoms to form distorted FeLu2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent FeLu2Fe4Sn6 cuboctahedra, edges with seven equivalent FeLu2Fe4Sn6 cuboctahedra, faces with nine equivalent FeLu2Fe4Sn6 cuboctahedra, and faces with four equivalent LuFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Lu, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.92 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(BRh)4 by Materials Project

Lu(RhB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Rh and twelve equivalent B atoms. There are four shorter (2.94 Å) and eight longer (3.17 Å) Lu–Rh bond lengths. There are eight shorter (3.02 Å) and four longer (3.14 Å) Lu–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Lu and five equivalent B atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Rh–B bond lengths. B is bonded in a 6-coordinate geometry to three equivalent Lu, five equivalent Rh, and one B atom. The B–B bond length is 1.80 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(P2Rh3)2 by Materials Project

Lu(Rh3P2)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Lu is bonded to six equivalent Rh and six equivalent P atoms to form face-sharing LuP6Rh6 cuboctahedra. There are three shorter (3.00 Å) and three longer (3.01 Å) Lu–Rh bond lengths. All Lu–P bond lengths are 2.95 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Rh–P bond distances ranging from 2.42–2.52 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Lu and four P atoms. There are a spread of Rh–P bond distances ranging from 2.32–2.51 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Lu and six Rh atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu(SiRh)2 by Materials Project

LuRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Lu–Rh bond lengths are 3.19 Å. All Lu–Si bond lengths are 3.10 Å. Rh is bonded to four equivalent Lu and four equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing RhLu4Si4 tetrahedra. All Rh–Si bond lengths are 2.39 Å. Si is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.38 Å.

36 MATERIALS SCIENCE↗

Materials Data on Lu(SiPd)2 by Materials Project

LuPd2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Si atoms. All Lu–Pd bond lengths are 3.23 Å. All Lu–Si bond lengths are 3.13 Å. Pd is bonded to four equivalent Lu and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing PdLu4Si4 tetrahedra. All Pd–Si bond lengths are 2.46 Å. Si is bonded in a 9-coordinate geometry to four equivalent Lu, four equivalent Pd, and one Si atom. The Si–Si bond length is 2.29 Å.

36 MATERIALS SCIENCE↗