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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cd3AsCl3 by Materials Project

Cd3AsCl3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to one As3- and five Cl1- atoms to form distorted CdAsCl5 octahedra that share corners with eight CdAsCl5 octahedra and edges with two equivalent CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. The Cd–As bond length is 2.59 Å. There are a spread of Cd–Cl bond distances ranging from 2.54–3.20 Å. In the second Cd2+ site, Cd2+ is bonded to two equivalent As3- and four Cl1- atoms to form a mixture of corner and edge-sharing CdAs2Cl4 octahedra. The corner-sharing octahedra tilt angles range from 48–57°. Both Cd–As bond lengths are 2.57 Å. There are two shorter (3.16 Å) and two longer (3.24 Å) Cd–Cl bond lengths. In the third Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one As3- and three Cl1- atoms. The Cd–As bond length is 2.57 Å. There are two shorter (2.59 Å) and one longer (2.68 Å) Cd–Cl bond lengths. As3- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Cd2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UCd(PbO3)2 by Materials Project

Pb2CdUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of U–O bond distances ranging from 2.08–2.13 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Cd–O bond distances ranging from 2.35–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–3.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one U6+, one Cd2+, and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdGeO3 by Materials Project

CdGeO3 is Esseneite-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six GeO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.28–2.34 Å. In the second Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.36–2.65 Å. In the third Cd2+ site, Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.81 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent GeO6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are a spread of Ge–O bond distances ranging from 1.76–1.84 Å. In the second Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form corner-sharing GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. All Ge–O bond lengths are 1.80 Å. In the third Ge4+ site, Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ge–O bond lengths are 1.79 Å. In the fourth Ge4+ site, Ge4+ is bonded to six O2- atoms to form corner-sharing GeO6 octahedra. There are a spread of Ge–O bond distances ranging from 1.89–1.97 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Cd2+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Cd2+ and two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two Ge4+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Remembering Apollo 11: The 30th Anniversary Data Archive CD-ROM

On July 20, 1969, the human race accomplished its single greatest technological achievement of all time when a human first set foot on another celestial body. Six hours after landing at 4:17 p.m. Eastern Standard Time (with less than thirty seconds of fuel remaining), Neil A. Armstrong took the "small step" into our greater future when he stepped off the Lunar Module, named Eagle, onto the surface of the Moon, from which he could look up and see Earth in the heavens as no one had done before him. He was shortly joined by Edwin "Buzz" Aldrin, and the two astronauts spent twenty-one hours on the lunar surface and returned forty-six pounds of lunar rocks. After their historic walks on the Moon, they successfully docked with Michael Collins, patiently orbiting the cold but no longer lifeless Moon alone in the Command module Columbia. This CR-ROM is intended as a collection of hard to find technical data and other interesting information about the Apollo 11 mission, as well as the apollo program in general. It includes basic overviews, such as a retrospective analysis, an annotated bibliography, and history of the lunar-orbit rendezvous concept. It also contains technical data, such as mission operations reports, press kits, and news references for all of the Apollo missions, the Apollo spacecraft, and the Saturn V launch vehicle. Rounding out this CD-ROM are extensive histories of the lunar Orbiter program (the robotic predecessor to Apollo, biographies of the Apollo astronauts and other key individuals, and interesting audio-visual materials, such as video and audio clips, photo galleries, and blueprint-like diagrams of the Apollo spacecraft.

Edgar M Cortright↗
DOE OSTI2020

Materials Data on KCdCu7Se2Cl9O8 by Materials Project

KCu7CdSe2O8Cl9 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. All K–Cl bond lengths are 3.18 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded to three O2- and three Cl1- atoms to form distorted CuCl3O3 octahedra that share a cornercorner with one CuCl3O3 octahedra, corners with two equivalent CdCl6 octahedra, edges with three equivalent CuCl3O3 octahedra, and an edgeedge with one CuCl3O2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 27–53°. There are two shorter (1.92 Å) and one longer (2.19 Å) Cu–O bond lengths. There are one shorter (2.56 Å) and two longer (2.61 Å) Cu–Cl bond lengths. In the second Cu2+ site, Cu2+ is bonded to two equivalent O2- and three equivalent Cl1- atoms to form edge-sharing CuCl3O2 trigonal bipyramids. Both Cu–O bond lengths are 1.92 Å. All Cu–Cl bond lengths are 2.42 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share corners with twelve equivalent CuCl3O3 octahedra. The corner-sharing octahedral tilt angles are 53°. All Cd–Cl bond lengths are 2.66 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Se–O bond lengths are 1.74 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded to four Cu2+ atoms to form corner-sharing OCu4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to one K1+, two equivalent Cu2+, and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCd2HSe2O7 by Materials Project

LiCd2HSe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.00 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.29–2.49 Å. In the second Cd2+ site, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.84 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.74 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.75 Å) Se–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Cd2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cd2+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Cd2+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Cd2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Cd2+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Cd2+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Cd2+, and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On silica's roles in controlling americium migration in contaminated sediments

Two studies in the early 1980s described the leaching behavior of americium (Am) disposed as part of acidic high-salt processing wastes from the Hanford Site’s Plutonium Finishing Plant to nearby ground sediments. Here these batch leach experiments showed that the Am concentrations followed a linear log [Am] versus pH relationship with a slope of –1. Column leach experiments in the second study, however, did not follow this relationship and only ~30% of the americium desorbed even after extensive column leaching. Here, the 1980s research is re-examined along with previously unpublished information and, in light of recent published work, a plausible mechanism is proposed to explain these phenomena. Amorphous silica in the contaminated sediments is postulated to be the substrate responsible for both the exchangeable Am available for leaching and the retained low-leachable Am made evident in the column leach experiments. The exchangeable Am 3+ in the contaminated sediment leach experiments behaves with pH dependence similar to that observed for uptake onto amorphous silica of sodium (Na + ), calcium (Ca 2+ ), barium (Ba 2+ ), cadmium (Cd 2+ ), uranyl (UO 2 2+ ), ferric (Fe 3+ ), chromic (Cr 3+ ), cupric (Cu 2+ ), plumbous (Pb 2+ ), uranium(IV) (U 4+ ), plutonium(IV) (Pu 4+ ), zirconium (Zr 4+ ), analogue lanthanide (gadolinium, Gd 3+ , europium, Eu 3+ , and lutetium, Lu 3+ ) and curium (Cm 3+ ) ions as well as other studies with Am 3+ . Correspondingly, the residual low-leachable Am 3+ revealed in the column leach experiments is attributed to incorporation of Am 3+ within amorphous silica by dynamic Am 3+ sorption and silica precipitation processes.

58 GEOSCIENCES↗
DOE OSTI2020

Materials Data on Li2CdSiO4 by Materials Project

Li2CdSiO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent CdO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.03 Å. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.20–2.27 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent CdO4 tetrahedra and corners with eight equivalent LiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi2CdSi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one Si4+ atom to form distorted corner-sharing OLi2CdSi tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Cd2+, and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mechanistic Studies of Ligand Substitution, Linkage Isomerism, and Insertion Reactions in Electron Rich Pd(II) Complexes of a Zwitterionic Diimine Ligand

We have prepared cationic palladium complexes possessing a new zwitterionic ligand bis-N,N’–1-(2,4,6-triphenylpyridyl) oxalamide [(N ^ N)Pd(Me)(L)] + [BArF] - , (BArF=3,5-(CF 3 ) 2 C 6 H 3 , L=NCMe, CO). The structure of [(N ^ N)Pd(Me)(CO)] + [BArF] - was determined by X-ray diffraction analysis. Energy Decomposition Analysis (EDA) indi-cates this N ^ N zwitterionic ligand is more electron-donating relative to bidentate diimine ligands. Low temperature NMR analysis shows the existence of linkage isomers with the N ^ N isomer the most stable. Structures were assigned using NMR and DFT analysis. Barriers to interconversion of isomers are ΔG ‡ = 10-12 kcal/mol. Kinetics of acetoni-trile displacement from [(N ^ N)Pd(Me)(NCCH 3 )] + [BArF] - by CD 3 CN, ethylene and t Bu 3 P were measured and mechanisms of exchange determined. The ethylene complex, [(N ^ N)Pd(Me)(C 2 H 4 )] + was generated at -45 °C, and the barrier of migrato-ry insertion determined at 0 °C (ΔG ‡ = 23.4 kcal/mol) and compared to related diimine complexes. The methyl carbonyl complex undergoes migratory insertion in the presence of CO at -70 to -55 °C (ΔG ‡ = ca. 15.7 kcal/mol) to yield the acyl carbonyl complex. Furthermore, the neutral bis-trimethylsilylmethyl complex [(N ^ N)Pd(CH 2 SiMe 3 ) 2 was prepared and characterized by X-ray diffraction analysis. It displays dynamic behavior at very low temperatures in the NMR spectrum (-90 °C, ΔG ‡ =7.9 kcal/mol) which, supported by DFT analysis, is ascribed to rotation of the bulky -CH 2 SiMe 3 groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Cd3As2 by Materials Project

Cd3As2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are two shorter (2.64 Å) and two longer (2.93 Å) Cd–As bond lengths. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.68–3.16 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted edge and corner-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–3.14 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the second As3- site, As3- is bonded in a 4-coordinate geometry to six Cd2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Theory and Modeling in Support of Tether

This final report summarizes the work performed by SAIC's Applied Physics Operation on the modeling and support of Tethered Satellite System missions (TSS-1 and TSS-1R). The SAIC team, known to be Theory and Modeling in Support of Tether (TMST) investigation, was one of the original twelve teams selected in July, 1985 for the first TSS mission. The accomplishments described in this report cover the period December 19, 1985 to September 31, 1999 and are the result of a continuous effort aimed at supporting the TSS missions in the following major areas. During the contract period, the SAIC's TMST investigation acted to: Participate in the planning and the execution on both of the TSS missions; Provide scientific understanding on the issues involved in the electrodynamic tether system operation prior to the TSS missions; Predict ionospheric conditions encountered during the re-flight mission (TSS-lR) based on realtime global ionosounde data; Perform post mission analyses to enhance our understanding on the TSS results. Specifically, we have 1) constructed and improved current collection models and enhanced our understanding on the current-voltage data; 2) investigated the effects of neutral gas in the current collection processes; 3) conducted laboratory experiments to study the discharge phenomena during and after tether-break; and 4) perform numerical simulations to understand data collected by plasma instruments SPES onboard the TSS satellite; Design and produce multi-media CD that highlights TSS mission achievements and convey the knowledge of the tether technology to the general public. Along with discussions of this work, a list of publications and presentations derived from the TMST investigation spanning the reporting period is compiled.

Chang, C. L.↗
DOE OSTI2020

Role of Protein-Water Interface in the Stacking Interactions of Granum Thylakoid Membranes—As Revealed by the Effects of Hofmeister Salts

The thylakoid membranes of vascular plants are differentiated into stacked granum and unstacked stroma regions. The formation of grana is triggered by the macrodomain formation of photosystem II and light-harvesting complex II (PSII-LHCII) and thus their lateral segregation from the photosystem I—light-harvesting complex I (PSI-LHCI) super-complexes and the ATP-synthase; which is then stabilized by stacking interactions of the adjacent PSII-LHCII enriched regions of the thylakoid membranes. The self-assembly and dynamics of this highly organized membrane system and the nature of forces acting between the PSII-LHCII macrodomains are not well understood. By using circular dichroism (CD) spectroscopy, small-angle neutron scattering (SANS) and transmission electron microscopy (TEM), we investigated the effects of Hofmeister salts on the organization of pigment-protein complexes and on the ultrastructure of thylakoid membranes. We found that the kosmotropic agent (NH 4 ) 2 SO 4 and the Hofmeister-neutral NaCl, up to 2 M concentrations, hardly affected the macro-organization of the protein complexes and the membrane ultrastructure. In contrast, chaotropic salts, NaClO 4 , and NaSCN destroyed the mesoscopic structures, the multilamellar organization of the thylakoid membranes and the chiral macrodomains of the protein complexes but without noticeably affecting the short-range, pigment-pigment excitonic interactions. Comparison of the concentration- and time-dependences of SANS, TEM and CD parameters revealed the main steps of the disassembly of grana in the presence of chaotropes. It begins with a rapid diminishment of the long-range periodic order of the grana membranes, apparently due to an increased stacking disorder of the thylakoid membranes, as reflected by SANS experiments. SANS measurements also allowed discrimination between the cationic and anionic effects—in stacking and disorder, respectively. This step is followed by a somewhat slower disorganization of the TEM ultrastructure, due to the gradual loss of stacked membrane pairs. Occurring last is the stepwise decrease and disappearance of the long-range chiral order of the protein complexes, the rate of which was faster in LHCII-deficient membranes. These data are interpreted in terms of a theory, from our laboratory, according to which Hofmeister salts primarily affect the hydrophylic-hydrophobic interactions of proteins, and the stroma-exposed regions of the intrinsic membrane proteins, in particular—pointing to the role of protein-water interface in the stacking interactions of granum thylakoid membranes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Materials Data on Cs2K2Cd3O5 by Materials Project

Cs2K2Cd3O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.92–3.06 Å. In the second Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.84–3.48 Å. There are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.13 Å. In the second K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 trigonal bipyramids that share corners with three CdO4 tetrahedra, corners with two equivalent CdO4 trigonal pyramids, edges with three CdO4 tetrahedra, and edges with two equivalent KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.68–2.97 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four O2- atoms to form distorted CdO4 trigonal pyramids that share corners with two CdO4 tetrahedra, corners with two equivalent KO5 trigonal bipyramids, an edgeedge with one CdO4 tetrahedra, and an edgeedge with one CdO4 trigonal pyramid. There are a spread of Cd–O bond distances ranging from 2.22–2.48 Å. In the second Cd2+ site, Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with three equivalent CdO4 tetrahedra, corners with two equivalent KO5 trigonal bipyramids, a cornercorner with one CdO4 trigonal pyramid, an edgeedge with one CdO4 tetrahedra, and an edgeedge with one KO5 trigonal bipyramid. There are a spread of Cd–O bond distances ranging from 2.19–2.41 Å. In the third Cd2+ site, Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with three equivalent CdO4 tetrahedra, a cornercorner with one KO5 trigonal bipyramid, a cornercorner with one CdO4 trigonal pyramid, edges with two equivalent KO5 trigonal bipyramids, and an edgeedge with one CdO4 trigonal pyramid. There are a spread of Cd–O bond distances ranging from 2.24–2.32 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Cs1+, three K1+, and two Cd2+ atoms. In the second O2- site, O2- is bonded to two Cs1+, two equivalent K1+, and two Cd2+ atoms to form distorted OCs2K2Cd2 pentagonal pyramids that share edges with two equivalent OCsK2Cd3 octahedra and an edgeedge with one OCs2K2Cd2 pentagonal pyramid. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Cs1+, two equivalent K1+, and three Cd2+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to three Cs1+, one K1+, and two Cd2+ atoms. In the fifth O2- site, O2- is bonded to one Cs1+, two K1+, and three Cd2+ atoms to form distorted OCsK2Cd3 octahedra that share an edgeedge with one OCsK2Cd3 octahedra and edges with two equivalent OCs2K2Cd2 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCdBO3 by Materials Project

LiCdBO3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with six equivalent CdO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.96–2.03 Å. Cd2+ is bonded to five O2- atoms to form distorted CdO5 trigonal bipyramids that share corners with six equivalent LiO4 tetrahedra and edges with two equivalent CdO5 trigonal bipyramids. There are one shorter (2.25 Å) and four longer (2.32 Å) Cd–O bond lengths. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.40 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Li1+, one Cd2+, and one B3+ atom to form distorted corner-sharing OLi2CdB tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Cd2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Cd2+, and one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbTiCdSbO7 by Materials Project

YbTiCdSbO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded to eight O2- atoms to form distorted YbO8 hexagonal bipyramids that share edges with two equivalent YbO8 hexagonal bipyramids, edges with four equivalent CdO8 hexagonal bipyramids, edges with two equivalent SbO6 octahedra, and edges with four equivalent TiO6 octahedra. There are a spread of Yb–O bond distances ranging from 2.29–2.63 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent SbO6 octahedra, edges with two equivalent CdO8 hexagonal bipyramids, and edges with four equivalent YbO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 44–45°. There is two shorter (1.94 Å) and four longer (1.98 Å) Ti–O bond length. Cd2+ is bonded to eight O2- atoms to form distorted CdO8 hexagonal bipyramids that share edges with two equivalent CdO8 hexagonal bipyramids, edges with four equivalent YbO8 hexagonal bipyramids, edges with two equivalent TiO6 octahedra, and edges with four equivalent SbO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.64 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent TiO6 octahedra, edges with two equivalent YbO8 hexagonal bipyramids, and edges with four equivalent CdO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–48°. There are four shorter (1.99 Å) and two longer (2.03 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Cd2+ atoms to form corner-sharing OYb2Cd2 tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Yb3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Cd2+ and two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Yb3+, one Ti4+, one Cd2+, and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdGe(BiO3)2 by Materials Project

CdGe(BiO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.24–2.61 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Ge–O bond length. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.19–2.81 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.17–3.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cd2+ and two Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Cd2+ and two Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCd2Bi2 tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Cd2+, one Ge4+, and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd4P2Br3 by Materials Project

Cd4P2Br3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to two P+2.50- and two equivalent Br1- atoms. There are one shorter (2.51 Å) and one longer (2.55 Å) Cd–P bond lengths. There are one shorter (2.91 Å) and one longer (3.03 Å) Cd–Br bond lengths. In the second Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one P+2.50- and three equivalent Br1- atoms. The Cd–P bond length is 2.50 Å. All Cd–Br bond lengths are 2.78 Å. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded to four Cd2+ atoms to form corner-sharing PCd4 trigonal pyramids. In the second P+2.50- site, P+2.50- is bonded to three equivalent Cd2+ and one P+2.50- atom to form corner-sharing PCd3P tetrahedra. The P–P bond length is 2.20 Å. Br1- is bonded in a distorted trigonal non-coplanar geometry to three Cd2+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS2000

EOSDIS Terra Data Sampler #1: Western US Wildfires 2000

This CD-ROM contains sample data in HDF-EOS format from the instruments on board the Earth Observing System (EOS) Terra satellite: (1) Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER); (2) Clouds and the Earth's Radiant Energy System (CERES); (3) Multi-angle Imaging Spectroradiometer (MISR); and (4) Moderate Resolution Imaging Spectroradiometer (MODIS). Data from the Measurements of Pollution in the Troposphere (MOPITT) instrument were not available for distribution (as of October 17, 2000). The remotely sensed, coincident data for the Western US wildfires were acquired August 30, 2000. This CD-ROM provides information about the Terra mission, instruments, data, and viewing tools. It also provides the Collage tool for viewing data, and links to Web sites containing other digital data processing software. Full granules of the data on this CD-ROM and other EOS Data and Information System (EOSDIS) data products are available from the NASA Distributed Active Archive Centers (DAACs).

Perkins, Dorothy C.↗