Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “O-Si-Ti”

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.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti2Si2O5 by Materials Project

Ti2Si2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Ti–O bond lengths are 2.31 Å. In the second Ti site, Ti is bonded to twelve O atoms to form TiO12 cuboctahedra that share corners with four equivalent TiO12 cuboctahedra, faces with four equivalent TiO12 cuboctahedra, and faces with eight equivalent SiO5 square pyramids. There are eight shorter (2.47 Å) and four longer (2.68 Å) Ti–O bond lengths. Si is bonded to five O atoms to form SiO5 square pyramids that share corners with five equivalent SiO5 square pyramids and faces with four equivalent TiO12 cuboctahedra. There is one shorter (1.69 Å) and four longer (1.90 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four Ti and two equivalent Si atoms to form a mixture of distorted edge, corner, and face-sharing OTi4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–71°. In the second O site, O is bonded in a linear geometry to four equivalent Ti and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiSiO4 by Materials Project

TiSiO4 is Zircon-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ti4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.14 Å) and four longer (2.15 Å) Ti–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti4(SiO8)3 by Materials Project

Ti4Si3O16(O2)4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional and consists of sixteen water molecules and one Ti4Si3O16 framework. In the Ti4Si3O16 framework, there are three inequivalent Ti sites. In the first Ti site, Ti is bonded to six O atoms to form distorted TiO6 pentagonal pyramids that share corners with three SiO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.84–2.12 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six O atoms. There is three shorter (1.84 Å) and three longer (2.11 Å) Ti–O bond length. In the third Ti site, Ti is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ti–O bond distances ranging from 1.84–2.13 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 pentagonal pyramid. All Si–O bond lengths are 1.64 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one TiO6 pentagonal pyramid. All Si–O bond lengths are 1.64 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ti and one Si atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Ti and one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the eighth O site, O is bonded in a trigonal non-coplanar geometry to three Ti atoms. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Ti atoms. In the tenth O site, O is bonded in a trigonal non-coplanar geometry to three Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiSiO4 by Materials Project

TiSiO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent TiO6 octahedra. There is two shorter (1.86 Å) and four longer (2.07 Å) Ti–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There is two shorter (1.62 Å) and two longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiSiO4 by Materials Project

TiSiO4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ti4+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.00 Å) and four longer (2.24 Å) Ti–O bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti4Si2O17 by Materials Project

(Ti2SiO7)4(O2)3 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional and consists of twelve water molecules and one Ti2SiO7 framework. In the Ti2SiO7 framework, there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ti–O bond distances ranging from 1.82–2.19 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ti–O bond distances ranging from 1.83–2.19 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.64 Å) Si–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Ti atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Ti atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ti and one Si atom. In the seventh O site, O is bonded in a linear geometry to two Ti atoms.

36 MATERIALS SCIENCE↗