Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “SeO3”

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.

152 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Cu9Se4(Cl3O7)2 by Materials Project

Cu9O2(SeO3)4Cl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.53 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to two O2- and two Cl1- atoms. There is one shorter (1.97 Å) and one longer (1.99 Å) Cu–O bond length. There are one shorter (2.21 Å) and one longer (2.25 Å) Cu–Cl bond lengths. In the third Cu2+ site, Cu2+ is bonded in a distorted trigonal bipyramidal geometry to four O2- and one Cl1- atom. There are a spread of Cu–O bond distances ranging from 1.98–2.13 Å. The Cu–Cl bond length is 2.30 Å. In the fourth Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (2.01 Å) Cu–O bond length. In the fifth Cu2+ site, Cu2+ is bonded in a square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.91 Å. Both Cu–Cl bond lengths are 2.34 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.75 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.74–1.79 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Cu2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded to four Cu2+ atoms to form corner-sharing OCu4 tetrahedra. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Cu2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cu2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Se4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cu2+ and one Se4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbFeSe2O7 by Materials Project

RbFe(SeO4)(SeO3) crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra, edges with six equivalent SeO4 tetrahedra, and faces with two equivalent FeO6 octahedra. There are six shorter (3.21 Å) and six longer (3.24 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded to twelve equivalent O2- atoms to form RbO12 cuboctahedra that share edges with six equivalent RbO12 cuboctahedra and edges with six equivalent FeO6 octahedra. All Rb–O bond lengths are 3.27 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with three equivalent SeO4 tetrahedra, edges with three equivalent RbO12 cuboctahedra, and a faceface with one RbO12 cuboctahedra. There are three shorter (1.98 Å) and three longer (2.10 Å) Fe–O bond lengths. There are two inequivalent Se5+ sites. In the first Se5+ site, Se5+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with three equivalent FeO6 octahedra and edges with three equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. There is one shorter (1.64 Å) and three longer (1.68 Å) Se–O bond length. In the second Se5+ site, Se5+ 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 three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Fe3+, and one Se5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Rb1+, one Fe3+, and one Se5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Rb1+ and one Se5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb3Se2(IO3)2 by Materials Project

Pb3(SeO3)2I2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pb+3.33+ sites. In the first Pb+3.33+ site, Pb+3.33+ is bonded in a 6-coordinate geometry to six O2- and two equivalent I1- atoms. There are a spread of Pb–O bond distances ranging from 2.61–2.84 Å. Both Pb–I bond lengths are 3.40 Å. In the second Pb+3.33+ site, Pb+3.33+ is bonded in a 5-coordinate geometry to five O2- and three equivalent I1- atoms. There are a spread of Pb–O bond distances ranging from 2.56–2.82 Å. There are a spread of Pb–I bond distances ranging from 3.28–3.59 Å. Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Pb+3.33+, one Se2+, and two equivalent I1- atoms. There are one shorter (3.42 Å) and one longer (3.77 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pb+3.33+ and one Se2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Pb+3.33+ and one Se2+ atom. I1- is bonded in a 6-coordinate geometry to four Pb+3.33+ and two equivalent O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2PbSe2(ClO3)2 by Materials Project

PbCu2(SeO3)2Cl2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (2.03 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded in a distorted octahedral geometry to four O2- and two equivalent Cl1- atoms. There are two shorter (1.93 Å) and two longer (2.67 Å) Cu–O bond lengths. Both Cu–Cl bond lengths are 2.35 Å. Pb2+ is bonded in a 8-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are two shorter (2.48 Å) and two longer (2.60 Å) Pb–O bond lengths. There are two shorter (3.09 Å) and two longer (3.19 Å) Pb–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.76 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+, one Pb2+, and one Se4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+, one Pb2+, and one Se4+ atom. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2Fe6Se9Cl4O27 by Materials Project

Fe6Ca2(SeO3)9Cl4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with three equivalent FeO6 octahedra and a faceface with one CaO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.40 Å) and three longer (2.41 Å) Ca–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 5-coordinate geometry to four O2- and two Cl1- atoms. There are two shorter (1.94 Å) and two longer (2.08 Å) Fe–O bond lengths. There are one shorter (2.33 Å) and one longer (2.96 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Fe–O bond distances ranging from 1.99–2.06 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.75 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Fe3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Ca2+, one Fe3+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe3+ and one Se4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a trigonal planar geometry to three equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni5Se4(ClO6)2 by Materials Project

Ni5(SeO3)4Cl2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Ni+3.60+ sites. In the first Ni+3.60+ site, Ni+3.60+ is bonded to five O2- and one Cl1- atom to form distorted NiClO5 octahedra that share corners with two NiClO5 octahedra, an edgeedge with one NiClO5 octahedra, and a faceface with one NiCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. There are a spread of Ni–O bond distances ranging from 2.02–2.12 Å. The Ni–Cl bond length is 2.70 Å. In the second Ni+3.60+ site, Ni+3.60+ is bonded to four O2- and two Cl1- atoms to form a mixture of distorted corner and face-sharing NiCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 34–68°. There are a spread of Ni–O bond distances ranging from 2.06–2.10 Å. There are one shorter (2.35 Å) and one longer (2.52 Å) Ni–Cl bond lengths. In the third Ni+3.60+ site, Ni+3.60+ is bonded to five O2- and one Cl1- atom to form a mixture of corner and edge-sharing NiClO5 octahedra. The corner-sharing octahedra tilt angles range from 48–68°. There are a spread of Ni–O bond distances ranging from 2.02–2.17 Å. The Ni–Cl bond length is 2.41 Å. In the fourth Ni+3.60+ site, Ni+3.60+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Ni–O bond distances ranging from 2.05–2.14 Å. In the fifth Ni+3.60+ site, Ni+3.60+ is bonded to five O2- and one Cl1- atom to form distorted NiClO5 octahedra that share corners with three NiCl2O4 octahedra and edges with three NiClO5 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Ni–O bond distances ranging from 2.05–2.31 Å. The Ni–Cl bond length is 2.41 Å. There are four inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.83 Å. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.76 Å) Se–O bond length. In the third Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.75 Å. In the fourth Se2+ site, Se2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.78 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ni+3.60+ and one Se2+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Ni+3.60+ and one Se2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to two Ni+3.60+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni+3.60+ and one Se2+ atom. In the eighth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Ni+3.60+ and one Se2+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the tenth O2- site, O2- is bonded in a trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ni+3.60+ and one Se2+ atom. In the twelfth O2- site, O2- is bonded to three Ni+3.60+ and one Se2+ atom to form distorted edge-sharing ONi3Se trigonal pyramids. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two Ni+3.60+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Ni+3.60+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi6Se3(BrO7)2 by Materials Project

Bi6(SeO3)3O5Br2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one Bi6Se3O14 framework. In the Bi6Se3O14 framework, there are six inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–3.09 Å. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.84 Å. In the third Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–3.12 Å. In the fourth Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–3.08 Å. In the fifth Bi3+ site, Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.47 Å. In the sixth 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 2.17–2.95 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. In the second Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. In the third Se site, Se is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.73 Å) and one longer (1.76 Å) Se–O bond length. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one Se atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to four Bi3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Bi3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Bi3+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to four Bi3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one Se atom. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Bi3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three Bi3+ and one Se atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one Se atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one Se atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to two Bi3+ and one Se atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one Se atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Bi3+ and one Se atom. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to two Bi3+ and one Se atom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Engineering Forisome Scaffolds: Elucidating Spatial Self-Assembly Patterning of Bio-inorganic Complexes

Organisms can synthesize biomaterials incorporating an array of naturally occurring elements while overcoming challenges and insults. Although, it is known that most cellular biomaterials are synthesized in specialized cellular compartments, there are knowledge gaps about how organic/inorganic biomaterial synthesis is orchestrated inside cells. In addition, there is great potential in understanding how individual monomers can self-assembly into organized patterns to form responsive biomaterials. Forisomes are a natural responsive biomaterial found in legume plants that serve as a plug sieve element in the plant phloem that undergo anisotropic conformational changes by rapid (<1 s) ATP-independent from condensed spindle to plug-like form, triggered by the influx of Ca 2+ . Addressing principles of forisome synthesis and assembly will determine how biomaterials containing inorganic elements self-assemble and conduct chemical modification to produce biomaterials or undergo biomineralization. We employ transcription and translation (TXTL) using cell-free expression systems for forisome monomer expression, self-assembly, and pattern probing. We conducted experiments to precisely control forisome proteins synthesis of various monomers SEO1, SEO2, SEO3, and SEO4 to explore self- assembly. We demonstrate forisome self-assembly of the SEO monomers is possible and indicate unique monomer fluorescent labeling patterns that require additional analysis. We investigated locations and linkers for adding tetracysteine tag fluorophore probes to determine impacts of self-assembly and anisotropic conformational changes.

42 ENGINEERING↗