SEARCH · Engineering Papers
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.
TiS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiS2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.
TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.50 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of edge, corner, and face-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 45°.
TiS is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–S bond lengths are 2.48 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi6 pentagonal pyramids.
TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to six equivalent S2- atoms to form a mixture of corner, edge, and face-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ti–S bond lengths are 2.50 Å. In the second Ti2+ site, Ti2+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.37 Å) and three longer (2.59 Å) Ti–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to six Ti2+ atoms to form a mixture of distorted corner and edge-sharing STi6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 7°. In the second S2- site, S2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner and edge-sharing STi6 octahedra.
TiS3 crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three TiS3 ribbons oriented in the (0, 0, 1) direction. Ti2+ is bonded to six equivalent S+0.67- atoms to form distorted face-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.39 Å. S+0.67- is bonded in a distorted L-shaped geometry to two equivalent Ti2+ atoms.
Ti2S crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to five S atoms. There are a spread of Ti–S bond distances ranging from 2.48–2.85 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four S atoms. There are a spread of Ti–S bond distances ranging from 2.44–2.72 Å. In the third Ti site, Ti is bonded to five S atoms to form distorted edge-sharing TiS5 trigonal bipyramids. There are a spread of Ti–S bond distances ranging from 2.45–2.48 Å. In the fourth Ti site, Ti is bonded in a distorted T-shaped geometry to three S atoms. There are a spread of Ti–S bond distances ranging from 2.51–2.61 Å. In the fifth Ti site, Ti is bonded in a 3-coordinate geometry to three S atoms. There are two shorter (2.44 Å) and one longer (2.52 Å) Ti–S bond lengths. In the sixth Ti site, Ti is bonded in a 4-coordinate geometry to four S atoms. There are two shorter (2.48 Å) and two longer (2.53 Å) Ti–S bond lengths. There are three inequivalent S sites. In the first S site, S is bonded in a 8-coordinate geometry to eight Ti atoms. In the second S site, S is bonded in a 9-coordinate geometry to nine Ti atoms. In the third S site, S is bonded to seven Ti atoms to form distorted edge-sharing STi7 pentagonal bipyramids.
TiS2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent S2- atoms to form edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.43 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.
TiS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TiS3 sheet oriented in the (0, 0, 1) direction. Ti2+ is bonded in a 8-coordinate geometry to eight S+0.67- atoms. There are a spread of Ti–S bond distances ranging from 2.47–2.67 Å. There are two inequivalent S+0.67- sites. In the first S+0.67- site, S+0.67- is bonded in a 2-coordinate geometry to two equivalent Ti2+ atoms. In the second S+0.67- site, S+0.67- is bonded to four equivalent Ti2+ atoms to form a mixture of distorted edge and corner-sharing STi4 trigonal pyramids.
TiS2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent S2- atoms to form a mixture of edge and face-sharing TiS12 cuboctahedra. All Ti–S bond lengths are 2.89 Å. S2- is bonded in a 11-coordinate geometry to six equivalent Ti4+ and five equivalent S2- atoms. There are three shorter (2.49 Å) and two longer (2.93 Å) S–S bond lengths.
TiS2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two TiS2 sheets oriented in the (0, 0, 1) direction. Ti4+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Ti–S bond lengths are 2.58 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Ti4+ atoms.
TiS2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to four S2- atoms to form corner-sharing TiS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.26 Å) and one longer (2.45 Å) Ti–S bond lengths. In the second Ti4+ site, Ti4+ is bonded to six S2- atoms to form TiS6 octahedra that share corners with three equivalent TiS4 tetrahedra and edges with four equivalent TiS6 octahedra. There are a spread of Ti–S bond distances ranging from 2.28–2.61 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent Ti4+ atoms. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to four Ti4+ atoms. In the fourth S2- site, S2- is bonded in a distorted trigonal planar geometry to three Ti4+ atoms.
Ti3S4 is MAX Phase-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Ti3S4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ti+2.67+ sites. In the first Ti+2.67+ site, Ti+2.67+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing TiS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.42 Å) and three longer (2.53 Å) Ti–S bond lengths. In the second Ti+2.67+ site, Ti+2.67+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing TiS6 octahedra. All Ti–S bond lengths are 2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Ti+2.67+ atoms. In the second S2- site, S2- is bonded to six Ti+2.67+ atoms to form a mixture of corner and edge-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 0°.