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At least 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg5(Si8Pd5)2 by Materials Project

(Mg)5(Pd5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of twenty magnesium molecules and one Pd5Si8 framework. In the Pd5Si8 framework, there are two inequivalent Pd+2.20+ sites. In the first Pd+2.20+ site, Pd+2.20+ is bonded in a trigonal planar geometry to three equivalent Si2- atoms. All Pd–Si bond lengths are 2.41 Å. In the second Pd+2.20+ site, Pd+2.20+ is bonded in a 6-coordinate geometry to six Si2- atoms. There are two shorter (2.45 Å) and four longer (2.60 Å) Pd–Si bond lengths. There are two inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 6-coordinate geometry to three Pd+2.20+ and three equivalent Si2- atoms. There are one shorter (2.37 Å) and two longer (2.48 Å) Si–Si bond lengths. In the second Si2- site, Si2- is bonded in a distorted trigonal planar geometry to three equivalent Pd+2.20+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdCu2O3 by Materials Project

Cu2CdO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.91–2.01 Å. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.21–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cu2+ and two equivalent Cd2+ atoms to form OCd2Cu2 tetrahedra that share corners with six equivalent OCd2Cu3 square pyramids, corners with two equivalent OCd2Cu2 tetrahedra, and edges with four equivalent OCd2Cu3 square pyramids. In the second O2- site, O2- is bonded to three equivalent Cu2+ and two equivalent Cd2+ atoms to form distorted OCd2Cu3 square pyramids that share corners with six equivalent OCd2Cu3 square pyramids, corners with three equivalent OCd2Cu2 tetrahedra, edges with three equivalent OCd2Cu3 square pyramids, and edges with two equivalent OCd2Cu2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu4PtO5 by Materials Project

PtCu4O5 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Pt6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.05 Å) Pt–O bond lengths. There are five inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.95 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.96 Å) Cu–O bond length. In the third Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.95 Å. In the fourth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. All Cu–O bond lengths are 1.99 Å. In the fifth Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the second O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the third O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the fourth O2- site, O2- is bonded to one Pt6+ and three Cu1+ atoms to form a mixture of corner and edge-sharing OCu3Pt tetrahedra. In the fifth O2- site, O2- is bonded to four Cu1+ atoms to form a mixture of corner and edge-sharing OCu4 tetrahedra.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Transient Evolution of a Planar Diffusion Flame Aft of a Translating Flat Plate

The high degree of spatial symmetry of a planar diffusion flame affords great simplifications for experimental and modeling studies of gaseous fuel combustion. Particularly, in a microgravity environment, where buoyancy effects are negligible, an effectively strain-rate-free, vigorous flame may be obtained. Such a flame can also provide long residence times and large length scales for practical probing of flame structures and soot processes. This 2-D numerical study explores the feasibility of establishing such a planar diffusion flame in an enclosed container utilizing a realistic test protocol for a microgravity experiment. Fuel and oxygen mixtures, initially segregated into two half-volumes of a squat rectangular container by a thin separator, are ignited as soon as a flammable mixture is formed in the wake of the separator withdrawn in the centerplane. A triple-flame ensues that propagates behind the trailing edge of the separator. The results of calculations show that the mechanically- and thermally-induced convection decays in about two seconds. The establishment of a planar diffusion flame after this period seems feasible in the central region of the container with sufficient quantities of reactants left over for subsequent studies. An analysis of the flame initiation and formation process suggests how the feasibility of creating such a flame can be further improved.

Gokoglu, Suleyman A.↗
DOE OSTI2020

Materials Data on PtO2 by Materials Project

PtO2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.04 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnF2 by Materials Project

ZnF2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent F1- atoms to form a mixture of edge and corner-sharing ZnF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Zn–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdF3 by Materials Project

NdF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Nd–F bond distances ranging from 2.38–2.58 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Nd3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Nd3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrF3 by Materials Project

PrF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pr–F bond distances ranging from 2.40–2.60 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Pr3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaF3 by Materials Project

LaF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of La–F bond distances ranging from 2.43–2.65 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfO2 by Materials Project

HfO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing HfO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Hf–O bond lengths are 2.10 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hf4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrI2 by Materials Project

SrI2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.31 Å. I1- is bonded in a distorted trigonal planar geometry to three equivalent Sr2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YF3 by Materials Project

YF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Y–F bond distances ranging from 2.29–2.50 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsK by Materials Project

KCs crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to four equivalent Cs and four equivalent K atoms. All Cs–Cs bond lengths are 5.04 Å. All Cs–K bond lengths are 4.85 Å. K is bonded in a distorted square co-planar geometry to four equivalent Cs atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyF3 by Materials Project

DyF3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Dy3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Dy–F bond distances ranging from 2.29–2.49 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Dy3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Dy3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbNa2AuO2 by Materials Project

RbNa2AuO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Rb–O bond lengths are 3.03 Å. Na1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. There are one shorter (2.29 Å) and two longer (2.35 Å) Na–O bond lengths. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Rb1+, three equivalent Na1+, and one Au1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgP2PdO7 by Materials Project

PdHgP2O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.06 Å) Pd–O bond lengths. Hg2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.10–2.97 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Pd2+, one Hg2+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BiMoO2 by Materials Project

MoBiO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mo3+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.24 Å. Bi1+ is bonded to six equivalent O2- atoms to form edge-sharing BiO6 octahedra. There are two shorter (2.45 Å) and four longer (2.62 Å) Bi–O bond lengths. O2- is bonded in a 5-coordinate geometry to two equivalent Mo3+ and three equivalent Bi1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTeO5 by Materials Project

KTeO5 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four O atoms. All K–O bond lengths are 2.74 Å. Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Te–O bond distances ranging from 1.84–2.22 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Te atom. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent K and one Te atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Te and one O atom. The O–O bond length is 1.35 Å. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Te and one O atom. In the fifth O site, O is bonded in a linear geometry to two equivalent Te atoms.

36 MATERIALS SCIENCE↗