Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “K edge”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K5Ag2(AsSe3)3 by Materials Project

K5Ag2As3Se9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven Se2- atoms to form distorted KSe7 pentagonal bipyramids that share corners with four KSe7 pentagonal bipyramids, a cornercorner with one AgSe4 tetrahedra, edges with six KSe7 pentagonal bipyramids, edges with two equivalent AgSe4 tetrahedra, and edges with two equivalent AsSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.32–3.72 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.81 Å. In the third K1+ site, K1+ is bonded to seven Se2- atoms to form distorted KSe7 pentagonal bipyramids that share corners with two equivalent KSe7 pentagonal bipyramids, a cornercorner with one AsSe4 tetrahedra, corners with two equivalent AgSe4 tetrahedra, edges with five KSe7 pentagonal bipyramids, an edgeedge with one AsSe4 tetrahedra, edges with two equivalent AgSe4 tetrahedra, and a faceface with one KSe7 pentagonal bipyramid. There are a spread of K–Se bond distances ranging from 3.37–3.68 Å. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with three KSe7 pentagonal bipyramids, a cornercorner with one AgSe4 tetrahedra, a cornercorner with one AsSe4 tetrahedra, and edges with four KSe7 pentagonal bipyramids. There are a spread of Ag–Se bond distances ranging from 2.67–2.75 Å. There are three inequivalent As+3.67+ sites. In the first As+3.67+ site, As+3.67+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.36 Å) and one longer (3.13 Å) As–Se bond lengths. In the second As+3.67+ site, As+3.67+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are two shorter (2.39 Å) and one longer (2.41 Å) As–Se bond lengths. In the third As+3.67+ site, As+3.67+ is bonded to four Se2- atoms to form AsSe4 tetrahedra that share corners with two equivalent KSe7 pentagonal bipyramids, corners with two equivalent AgSe4 tetrahedra, and edges with six KSe7 pentagonal bipyramids. There are a spread of As–Se bond distances ranging from 2.34–2.39 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent K1+, two equivalent Ag1+, and one As+3.67+ atom to form SeK2Ag2As square pyramids that share corners with four equivalent SeK4AgAs octahedra and an edgeedge with one SeK4As2 octahedra. The corner-sharing octahedra tilt angles range from 58–75°. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one As+3.67+ atom. In the third Se2- site, Se2- is bonded to four K1+, one Ag1+, and one As+3.67+ atom to form distorted SeK4AgAs octahedra that share corners with two equivalent SeK2Ag2As square pyramids and edges with four SeK4As2 octahedra. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to five K1+ and one As+3.67+ atom. In the fifth Se2- site, Se2- is bonded in a 6-coordinate geometry to four K1+, one Ag1+, and one As+3.67+ atom. In the sixth Se2- site, Se2- is bonded to four K1+ and two As+3.67+ atoms to form distorted SeK4As2 octahedra that share edges with four equivalent SeK4AgAs octahedra and an edgeedge with one SeK2Ag2As square pyramid.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4SnSe4 by Materials Project

K4SnSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Se2- atoms to form KSe6 octahedra that share corners with four equivalent KSe6 pentagonal pyramids, corners with two equivalent SnSe4 tetrahedra, edges with two equivalent KSe6 octahedra, edges with two equivalent KSe6 pentagonal pyramids, and edges with two equivalent SnSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.29–3.84 Å. In the second K1+ site, K1+ is bonded to six Se2- atoms to form distorted KSe6 pentagonal pyramids that share corners with four equivalent KSe6 octahedra, corners with two equivalent SnSe4 tetrahedra, edges with two equivalent KSe6 octahedra, edges with two equivalent KSe6 pentagonal pyramids, and edges with two equivalent SnSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–79°. There are a spread of K–Se bond distances ranging from 3.37–3.80 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of K–Se bond distances ranging from 3.32–3.86 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with two equivalent KSe6 octahedra, corners with two equivalent KSe6 pentagonal pyramids, edges with two equivalent KSe6 octahedra, and edges with two equivalent KSe6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 43°. There are a spread of Sn–Se bond distances ranging from 2.55–2.59 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to seven K1+ and one Sn4+ atom. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to seven K1+ and one Sn4+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to five K1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1988

The heating environment during Martian atmospheric descent

It has been shown that a vehicle with a lift/drag ratio of 2.3 entering the Martian atmosphere at parabolic speed of 5 km/sec, or from a low orbit at 3.5 km/sec, has a very large landing footprint. At the 5-km/sec entry speed, the trajectory exhibits large skipping motions; however, a lateral range of up to 3300 km is attainable. The entries from low satellite orbit yield a gliding lateral range of 2500 km. The distances correspond to latitude changes of 57 and 42 deg, respectively. The high-speed, skipping entries were accompanied by the most intense heating. The peak stagnation point convective rates varied from 59 W/sq cm to 88 W/sq cm for partially and fully catalytic walls, respectively; the corresponding equilibrium wall temperatures were 1900 K and 2100 K. The peak heating at a wing leading-edge point reached 50 W/sq cm because of the presence of a transitional boundary layer. The lower-speed, gliding entries experienced much milder heating with a peak stagnation point rate of about 14 W/sq cm, resulting in a wall temperature near 1300 K. However, the longer duration of the gliding entries resulted in comparable heat loads for both entry speeds. The highest heat loads approached values experienced by the Shuttle orbiter stagnation point during a typical entry.

Tauber, Michael E.↗
DOE OSTI2020

Materials Data on K2HgCl4O by Materials Project

K2HgOCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.15 Å. There are a spread of K–Cl bond distances ranging from 3.14–3.61 Å. In the second K site, K is bonded in a 9-coordinate geometry to two equivalent O and seven Cl atoms. Both K–O bond lengths are 3.00 Å. There are a spread of K–Cl bond distances ranging from 3.11–3.61 Å. Hg is bonded to six Cl atoms to form distorted edge-sharing HgCl6 octahedra. There are a spread of Hg–Cl bond distances ranging from 2.45–3.00 Å. O is bonded in a rectangular see-saw-like geometry to four K atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to three equivalent K and two equivalent Hg atoms to form distorted ClK3Hg2 trigonal bipyramids that share corners with twelve ClK3Hg2 trigonal bipyramids and edges with eight ClK4Hg trigonal bipyramids. In the second Cl site, Cl is bonded to three equivalent K and two equivalent Hg atoms to form a mixture of edge and corner-sharing ClK3Hg2 trigonal bipyramids. In the third Cl site, Cl is bonded to four K and one Hg atom to form a mixture of distorted edge and corner-sharing ClK4Hg trigonal bipyramids.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Improved two-equation k-omega turbulence models for aerodynamic flows

Two new versions of the k-omega two-equation turbulence model will be presented. The new Baseline (BSL) model is designed to give results similar to those of the original k-omega model of Wilcox, but without its strong dependency on arbitrary freestream values. The BSL model is identical to the Wilcox model in the inner 50 percent of the boundary-layer but changes gradually to the high Reynolds number Jones-Launder k-epsilon model (in a k-omega formulation) towards the boundary-layer edge. The new model is also virtually identical to the Jones-Lauder model for free shear layers. The second version of the model is called Shear-Stress Transport (SST) model. It is based on the BSL model, but has the additional ability to account for the transport of the principal shear stress in adverse pressure gradient boundary-layers. The model is based on Bradshaw's assumption that the principal shear stress is proportional to the turbulent kinetic energy, which is introduced into the definition of the eddy-viscosity. Both models are tested for a large number of different flowfields. The results of the BSL model are similar to those of the original k-omega model, but without the undesirable freestream dependency. The predictions of the SST model are also independent of the freestream values and show excellent agreement with experimental data for adverse pressure gradient boundary-layer flows.

Menter, Florian R.↗
DOE OSTI2023

Recent developments in photoresists for extreme-ultraviolet lithography

Here, this report describes recent developments and current needs in the field of high-resolution photopolymers and photomolecules briefly describing prior generation lithographic patterning materials. It subsequently concentrates on recent advances in both inorganic and polymeric materials for extreme ultraviolet (EUV) lithography. It is also part of a series of papers written in celebration of the centenary of the Polymeric Materials: Science and Engineering (PMSE) division of the American Chemical Society (ACS). PMSE has long been home to polymer chemists who have made important contributions to advances in semiconductor manufacturing as a result of PMSE's focus on polymer coatings research. While EUV lithography has been an area of research for several decades, only within the last 5 years has the combination of new light sources, EUV optics, tool advances and resist discoveries come together to transition this area from the patterning method of the future to a leading-edge manufacturing technology.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4ZnO3 by Materials Project

K4ZnO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.83 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 trigonal pyramids that share a cornercorner with one KO5 trigonal bipyramid, an edgeedge with one KO5 trigonal bipyramid, and an edgeedge with one KO4 trigonal pyramid. There are a spread of K–O bond distances ranging from 2.66–2.86 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.67–2.90 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with four equivalent KO5 trigonal bipyramids and an edgeedge with one KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.67–2.82 Å. In the fifth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.71–2.84 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.18 Å. In the seventh K1+ site, K1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.81–3.04 Å. In the eighth K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.62–3.03 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.93 Å) and two longer (1.94 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five K1+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six K1+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six K1+ and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to five K1+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K23Na8(CdIn4)12 by Materials Project

Na8K23Cd12In48 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to four K, one Na, two equivalent Cd, and nine In atoms. There are a spread of K–K bond distances ranging from 3.93–4.18 Å. The K–Na bond length is 3.89 Å. Both K–Cd bond lengths are 3.91 Å. There are a spread of K–In bond distances ranging from 3.66–3.90 Å. In the second K site, K is bonded in a 10-coordinate geometry to four equivalent K and ten In atoms. There are a spread of K–In bond distances ranging from 3.78–4.03 Å. In the third K site, K is bonded in a 12-coordinate geometry to three equivalent K and twelve In atoms. There are three shorter (3.58 Å) and nine longer (3.71 Å) K–In bond lengths. In the fourth K site, K is bonded in a 2-coordinate geometry to eight Na atoms. There are two shorter (3.70 Å) and six longer (4.22 Å) K–Na bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 10-coordinate geometry to three K, four equivalent Cd, and six In atoms. All Na–Cd bond lengths are 3.46 Å. There are two shorter (3.63 Å) and four longer (3.66 Å) Na–In bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to one K, one Na, six equivalent Cd, and six equivalent In atoms. The Na–Na bond length is 3.29 Å. All Na–Cd bond lengths are 3.44 Å. All Na–In bond lengths are 3.64 Å. Cd is bonded in a 12-coordinate geometry to two equivalent K, three Na, and three In atoms. There are one shorter (3.11 Å) and two longer (3.13 Å) Cd–In bond lengths. There are five inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to three K, two equivalent Na, one Cd, and five In atoms. There are a spread of In–In bond distances ranging from 3.10–3.21 Å. In the second In site, In is bonded in a distorted q6 geometry to four K, one Na, and six In atoms. There are a spread of In–In bond distances ranging from 3.04–3.21 Å. In the third In site, In is bonded in a 11-coordinate geometry to five K and six In atoms. There are one shorter (3.07 Å) and one longer (3.16 Å) In–In bond lengths. In the fourth In site, In is bonded to eight K and four In atoms to form a mixture of edge and face-sharing InK8In4 cuboctahedra. Both In–In bond lengths are 3.19 Å. In the fifth In site, In is bonded in a distorted q6 geometry to four K, two equivalent Na, four equivalent Cd, and two equivalent In atoms. Both In–In bond lengths are 3.24 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2SeS3O7 by Materials Project

K2S2O7SeS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules, four selenium molecules, and one K2S2O7 framework. In the K2S2O7 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.23 Å. In the second K1+ site, K1+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing KO8 hexagonal bipyramids. There are a spread of K–O bond distances ranging from 2.72–3.16 Å. There are two inequivalent S+2.67+ sites. In the first S+2.67+ site, S+2.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.47 Å. In the second S+2.67+ site, S+2.67+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.46 Å) and one longer (1.48 Å) S–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S+2.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S+2.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S+2.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one S+2.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two K1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S+2.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S+2.67+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Normal loads program for aerodynamic lifting surface theory

A description of and users manual are presented for a U.S.A. FORTRAN 4 computer program which evaluates spanwise and chordwise loading distributions, lift coefficient, pitching moment coefficient, and other stability derivatives for thin wings in linearized, steady, subsonic flow. The program is based on a kernel function method lifting surface theory and is applicable to a large class of planforms including asymmetrical ones and ones with mixed straight and curved edges.

Medan, R. T.↗
NASA NTRS1977

Computer simulation of the motion of a straight dislocation line in concentrated solid solutions. II

An investigation was undertaken to determine if the size and modulus interaction of a solute atom with a screw dislocation and the modulus interaction with an edge dislocation contributed to strengthening, in addition to the size interaction with an edge dislocation. The results indicate that the size interaction between solute atom and an edge dislocation accounts for most of the solid solution strengthening in f.c.c. alloys. The contribution to the yield stress from the modulus interaction with an edge dislocation is less than 15%. The interaction between a solute atom and a screw dislocation is much less than that between a solute atom and an edge dislocation.

Kuo, C. T. K.↗
NASA NTRS1983

Analysis of an effusive sampling device for analysis of boundary layer gases

The effect of suction, through an opening in a surface, upon a stream of flowing gas is determined. The quantity of interest is the maximum distance, Y, from the surface that the main stream is affected by the applied suction. The fraction of this distance Y of the boundary layer thickness sigma is determined as a function of tubing radius and length, gas pressure, temperature and stream velocity. The shape of the flow in the high velocity stream is assumed to be determined by means of a parameter which is an unknown function of the distance from the leading edge of the surface.

Brown, K. G.↗
NASA NTRS1988

Three-dimensional elastic analysis of a composite double cantilever beam specimen

Attention is given to the stresses and the strain energy release rate along the delamination front in the present three-dimensional elastic analysis of a 24-ply, cocured double-cantilever beam specimen by means of 20-noded parabolic-isoparametric finite elements. At the free surface, the strain energy release rate was found to be substantially smaller than the plane strain value; this is suggested to be due to the free-surface effect that exists where the delamination meets the surface edge.

Raju, I. S.↗
NASA NTRS2000

Numerical Simulations of TRMM LBA, TOGA, COARE, GATE, ARM and PRESTORM Convective Systems: Sensitivity tests on Microphysical Processes

The 3D Goddard Cumulus Ensemble (GCE) model was utilized to examine the behavior and response of simulated deep tropical cloud systems that occurred over the west Pacific warm pool region, the Atlantic ocean and the central United States. The periods chosen for simulation were convectively active periods during TOGA-COARE (February 22 1993, December 11-17, 1992; December 19-28, February 9-13, 1993), GATE (September 4, 1974), LBA (January 26 and February 23, 1998), ARM (1997 IOP) and PRESTORM (June 11, 1985). We will examine differences in the microphysics for both warm rain and ice processes (evaporation /sublimation and condensation/ deposition), Q1 (Temperature), Q2 (Water vapor) and Q3 (momentum both U and V) budgets for these three convective events from different large-scale environments. The contribution of stratiform precipitation and its relationship to the vertical shear of the large-scale horizontal wind will also be examined. New improvements to the GCE model (i.e., microphysics: 4ICE two moments and 3ICE one moment; advection schemes) as well as their sensitivity to the model results will be discussed. Preliminary results indicated that various microphysical schemes could have a major impact on stratiform formation as well as the size of convective systems. However, they do not change the major characteristics of the convective systems, such as: arc shape, strong rotational circulation on both ends of system, heavy precipitation along the leading edge of systems.

Tao, W.-K.↗
DOE OSTI2020

Materials Data on K2U(Si2O5)3 by Materials Project

K2U(Si2O5)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.32 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.28 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.88–3.41 Å. In the fourth K1+ site, K1+ is bonded to eight O2- atoms to form distorted KO8 hexagonal bipyramids that share corners with six SiO4 tetrahedra, edges with two equivalent UO6 octahedra, and edges with three SiO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.93–3.33 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six SiO4 tetrahedra. There are a spread of U–O bond distances ranging from 2.22–2.32 Å. In the second U4+ site, U4+ is bonded to six O2- atoms to form distorted UO6 octahedra that share corners with six SiO4 tetrahedra and edges with two equivalent KO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 2.24–2.34 Å. There are twelve inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra, corners with three SiO4 tetrahedra, and an edgeedge with one KO8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 47°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one UO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent KO8 hexagonal bipyramids, a cornercorner with one UO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the sixth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the seventh Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one UO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the eighth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 67°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the ninth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra, corners with three SiO4 tetrahedra, and an edgeedge with one KO8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 46°. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the tenth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one UO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the eleventh Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one KO8 hexagonal bipyramid, a cornercorner with one UO6 octahedra, and corners with three SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. In the twelfth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one UO6 octahedra, corners with three SiO4 tetrahedra, and an edgeedge with one KO8 hexagonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are a spread of Si–O bond distances ranging from 1.61–1.66 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one U4+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one U4+, and one Si4+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one U4+, and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the sixteenth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the seventeenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one U4+, and one Si4+ atom. In the nineteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and two Si4+ atoms. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms. In the twenty-second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Si4+ atoms. In the twenty-third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two Si4+ atoms. In the twenty-fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the twenty-fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms. In the twenty-sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the twenty-seventh O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one U4+, and one Si4+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+, one U4+, and one Si4+ atom. In the twenty-ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms. In the thirtieth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and two Si4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2O by Materials Project

K2O crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.98 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing KO4 tetrahedra. There are two shorter (2.69 Å) and two longer (2.80 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a linear geometry to two equivalent O2- atoms. Both K–O bond lengths are 2.50 Å. O2- is bonded to seven K1+ atoms to form a mixture of distorted edge and corner-sharing OK7 hexagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Sn by Materials Project

K2Sn is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing KSn4 tetrahedra. There are three shorter (3.74 Å) and one longer (3.77 Å) K–Sn bond lengths. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2OsO5 by Materials Project

K2OsO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.89 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.58–3.33 Å. In the third 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 2.76–2.93 Å. In the fourth 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 2.72–2.93 Å. In the fifth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.40 Å. In the sixth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.23 Å. In the seventh K1+ site, K1+ is bonded to seven O2- atoms to form distorted KO7 pentagonal bipyramids that share corners with three OsO5 trigonal bipyramids and edges with two OsO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.65–3.11 Å. In the eighth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.20 Å. In the ninth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.31 Å. In the tenth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.60–3.31 Å. In the eleventh K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.59–3.00 Å. In the twelfth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.15 Å. There are six inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.78–1.84 Å. In the second Os8+ site, Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.78–1.83 Å. In the third Os8+ site, Os8+ is bonded to five O2- atoms to form distorted OsO5 trigonal bipyramids that share a cornercorner with one KO7 pentagonal bipyramid. There are a spread of Os–O bond distances ranging from 1.76–1.83 Å. In the fourth Os8+ site, Os8+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with two equivalent KO7 pentagonal bipyramids. There are a spread of Os–O bond distances ranging from 1.78–1.83 Å. In the fifth Os8+ site, Os8+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share an edgeedge with one KO7 pentagonal bipyramid. There are a spread of Os–O bond distances ranging from 1.79–1.84 Å. In the sixth Os8+ site, Os8+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share an edgeedge with one KO7 pentagonal bipyramid. There are a spread of Os–O bond distances ranging from 1.78–1.83 Å. There are thirty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Os8+ atom. In the eighth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Os8+ atom. In the thirteenth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the seventeenth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the twentieth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the twenty-first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the twenty-second O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-fourth O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-fifth O2- site, O2- is bonded in a 3-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-sixth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Os8+ atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-eighth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom. In the twenty-ninth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the thirtieth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra.

36 MATERIALS SCIENCE↗