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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
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DOE OSTI2020

Materials Data on NpP by Materials Project

NpP is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded to six equivalent P3- atoms to form a mixture of edge and corner-sharing NpP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–P bond lengths are 2.81 Å. P3- is bonded to six equivalent Np3+ atoms to form a mixture of edge and corner-sharing PNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on SiRh by Materials Project

RhSi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Rh–Si bond lengths are 2.58 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Rh4+ atoms.

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DOE OSTI2020

Materials Data on LaB2Ir3 by Materials Project

LaIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve equivalent Ir, and six equivalent B atoms. Both La–La bond lengths are 3.12 Å. All La–Ir bond lengths are 3.20 Å. All La–B bond lengths are 3.23 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. B is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Ir atoms.

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DOE OSTI2020

Materials Data on ScB4Ir3 by Materials Project

ScIr3B4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sc3+ is bonded in a 9-coordinate geometry to nine equivalent B3- atoms. There are three shorter (2.60 Å) and six longer (2.61 Å) Sc–B bond lengths. Ir3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ir–B bond distances ranging from 2.16–2.44 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Sc3+, four equivalent Ir3+, and two equivalent B3- atoms. Both B–B bond lengths are 2.17 Å. In the second B3- site, B3- is bonded in a body-centered cubic geometry to six equivalent Ir3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.73 Å.

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DOE OSTI2020

Materials Data on ThB2Ir3 by Materials Project

ThIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to two equivalent Th, twelve equivalent Ir, and six equivalent B atoms. Both Th–Th bond lengths are 3.25 Å. All Th–Ir bond lengths are 3.19 Å. All Th–B bond lengths are 3.17 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Th and four equivalent B atoms. All Ir–B bond lengths are 2.27 Å. B is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Ir atoms.

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DOE OSTI2020

Materials Data on UB2Ir3 by Materials Project

UIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, twelve equivalent Ir, and six equivalent B atoms. Both U–U bond lengths are 3.15 Å. All U–Ir bond lengths are 3.16 Å. All U–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent U and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3(Ni10B3)2 by Materials Project

Mg3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to sixteen Ni atoms to form distorted MgNi16 tetrahedra that share edges with six equivalent MgNi16 tetrahedra, edges with twelve equivalent NiMgNi6B3 tetrahedra, faces with four equivalent MgNi12 cuboctahedra, and faces with four equivalent NiMgNi6B3 tetrahedra. There are four shorter (2.48 Å) and twelve longer (2.90 Å) Mg–Ni bond lengths. In the second Mg site, Mg is bonded to twelve equivalent Ni atoms to form MgNi12 cuboctahedra that share edges with twenty-four equivalent NiMgNi6B3 tetrahedra and faces with eight equivalent MgNi16 tetrahedra. All Mg–Ni bond lengths are 2.54 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to one Mg, six equivalent Ni, and three equivalent B atoms to form NiMgNi6B3 tetrahedra that share corners with three equivalent NiMgNi6B3 tetrahedra, edges with three equivalent MgNi12 cuboctahedra, edges with three equivalent MgNi16 tetrahedra, edges with three equivalent NiMgNi6B3 tetrahedra, a faceface with one MgNi16 tetrahedra, and faces with six equivalent NiMgNi6B3 tetrahedra. All Ni–Ni bond lengths are 2.64 Å. All Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to three Mg, nine Ni, and two equivalent B atoms. There are one shorter (2.38 Å) and four longer (2.54 Å) Ni–Ni bond lengths. Both Ni–B bond lengths are 2.09 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3B4 by Materials Project

Mn3B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Mn–B bond distances ranging from 2.13–2.19 Å. In the second Mn2+ site, Mn2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MnB12 cuboctahedra. There are eight shorter (2.27 Å) and four longer (2.35 Å) Mn–B bond lengths. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to seven Mn2+ and two equivalent B+1.50- atoms. Both B–B bond lengths are 1.76 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to six Mn2+ and three B+1.50- atoms. The B–B bond length is 1.72 Å.

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DOE OSTI2020

Materials Data on NdBPd3 by Materials Project

NdPd3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Pd atoms to form NdPd12 cuboctahedra that share corners with twelve equivalent NdPd12 cuboctahedra, faces with six equivalent NdPd12 cuboctahedra, and faces with eight equivalent BPd6 octahedra. All Nd–Pd bond lengths are 3.10 Å. Pd is bonded to four equivalent Nd and two equivalent B atoms to form a mixture of distorted edge, face, and corner-sharing PdNd4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–B bond lengths are 2.19 Å. B is bonded to six equivalent Pd atoms to form BPd6 octahedra that share corners with six equivalent BPd6 octahedra and faces with eight equivalent NdPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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DOE OSTI2020

Materials Data on Ni21(B3Sb)2 by Materials Project

Ni(Ni10B3Sb)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four nickel molecules and one Ni10B3Sb framework. In the Ni10B3Sb framework, there are two inequivalent Ni+1.14+ sites. In the first Ni+1.14+ site, Ni+1.14+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.09 Å. In the second Ni+1.14+ site, Ni+1.14+ is bonded to three equivalent B3- and one Sb3- atom to form a mixture of edge and corner-sharing NiB3Sb tetrahedra. All Ni–B bond lengths are 2.10 Å. The Ni–Sb bond length is 2.46 Å. B3- is bonded in a 8-coordinate geometry to eight Ni+1.14+ atoms. Sb3- is bonded in a distorted tetrahedral geometry to four equivalent Ni+1.14+ atoms.

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DOE OSTI2020

Materials Data on Tb(Ni2B)6 by Materials Project

Tb(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Tb3+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of Tb–B bond distances ranging from 2.99–3.29 Å. There are seven inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of distorted edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.02–2.10 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 2.02–2.09 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded in a distorted T-shaped geometry to three B3- atoms. There are two shorter (2.10 Å) and one longer (2.17 Å) Ni–B bond lengths. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded in a distorted T-shaped geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.06–2.14 Å. In the fifth Ni+1.25+ site, Ni+1.25+ is bonded in a T-shaped geometry to three B3- atoms. There are two shorter (1.99 Å) and one longer (2.08 Å) Ni–B bond lengths. In the sixth Ni+1.25+ site, Ni+1.25+ is bonded in a T-shaped geometry to three B3- atoms. There are a spread of Ni–B bond distances ranging from 2.03–2.09 Å. In the seventh Ni+1.25+ site, Ni+1.25+ is bonded to four B3- atoms to form a mixture of edge and corner-sharing NiB4 tetrahedra. There are a spread of Ni–B bond distances ranging from 1.98–2.09 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 7-coordinate geometry to one Tb3+ and seven Ni+1.25+ atoms. In the second B3- site, B3- is bonded in a 7-coordinate geometry to one Tb3+ and seven Ni+1.25+ atoms. In the third B3- site, B3- is bonded in a 7-coordinate geometry to one Tb3+ and seven Ni+1.25+ atoms. In the fourth B3- site, B3- is bonded in a 7-coordinate geometry to one Tb3+ and seven Ni+1.25+ atoms.

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DOE OSTI2020

Materials Data on SbIr by Materials Project

IrSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner, edge, and face-sharing IrSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ir–Sb bond lengths are 2.73 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Ir3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V5SiB2 by Materials Project

V5SiB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to three equivalent B3- and two equivalent Si4- atoms to form distorted VSi2B3 trigonal bipyramids that share corners with four equivalent VSi2B4 octahedra, corners with twelve equivalent VSi2B3 trigonal bipyramids, edges with seven equivalent VSi2B3 trigonal bipyramids, faces with two equivalent VSi2B4 octahedra, and a faceface with one VSi2B3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–60°. There are two shorter (2.23 Å) and one longer (2.30 Å) V–B bond lengths. Both V–Si bond lengths are 2.47 Å. In the second V2+ site, V2+ is bonded to four equivalent B3- and two equivalent Si4- atoms to form distorted VSi2B4 octahedra that share corners with six equivalent VSi2B4 octahedra, corners with sixteen equivalent VSi2B3 trigonal bipyramids, and faces with eight equivalent VSi2B3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–57°. All V–B bond lengths are 2.32 Å. Both V–Si bond lengths are 2.69 Å. B3- is bonded in a 9-coordinate geometry to eight V2+ and one B3- atom. The B–B bond length is 1.88 Å. Si4- is bonded in a 10-coordinate geometry to ten V2+ atoms.

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DOE OSTI2020

Materials Data on ThGe2 by Materials Project

ThGe2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ge atoms to form a mixture of distorted edge and face-sharing ThGe12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.51 Å) Th–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Ge atoms. There are two shorter (2.54 Å) and one longer (2.69 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNi4B by Materials Project

TmNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Tm–Ni bond lengths are 2.86 Å. All Tm–B bond lengths are 2.85 Å. In the second Tm site, Tm is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Tm–Ni bond lengths are 2.85 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Tm, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.47 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tm and nine Ni atoms. All Ni–Ni bond lengths are 2.85 Å. B is bonded in a 6-coordinate geometry to three equivalent Tm and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2(Ni7B2)3 by Materials Project

U2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All U–Ni bond lengths are 2.49 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one U and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiUB3 tetrahedra. All Ni–B bond lengths are 2.14 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn3(Ni10B3)2 by Materials Project

Zn3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UB2Os3 by Materials Project

UOs3B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U6+ is bonded to twelve Os2- atoms to form UOs12 cuboctahedra that share corners with twelve equivalent UOs12 cuboctahedra, edges with six equivalent UOs12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent UOs12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. There are four shorter (3.15 Å) and eight longer (3.16 Å) U–Os bond lengths. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a distorted square co-planar geometry to four equivalent U6+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. In the second Os2- site, Os2- is bonded in a distorted square co-planar geometry to four equivalent U6+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six Os2- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent UOs12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent UOs12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.

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