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.
TaS2 is Molybdenite-like structured and crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
TaS2 is trigonal omega-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of six TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
TaS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TaS2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
Ta3S2 crystallizes in the orthorhombic Aem2 space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a bent 150 degrees geometry to two equivalent Ta and two equivalent S atoms. There are one shorter (2.94 Å) and one longer (2.96 Å) Ta–Ta bond lengths. Both Ta–S bond lengths are 2.46 Å. In the second Ta site, Ta is bonded to twelve Ta atoms to form TaTa12 cuboctahedra that share corners with two equivalent TaTa12 cuboctahedra, corners with twelve STa4 trigonal pyramids, edges with four STa4 trigonal pyramids, faces with two equivalent TaTa12 cuboctahedra, and faces with four STa4 trigonal pyramids. There are a spread of Ta–Ta bond distances ranging from 2.83–2.96 Å. In the third Ta site, Ta is bonded in a 3-coordinate geometry to two equivalent Ta and three S atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.55 Å. In the fourth Ta site, Ta is bonded in a 4-coordinate geometry to two equivalent Ta and four S atoms. There are a spread of Ta–S bond distances ranging from 2.45–2.73 Å. There are two inequivalent S sites. In the first S site, S is bonded to four Ta atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent TaTa12 cuboctahedra, corners with nine STa4 trigonal pyramids, an edgeedge with one TaTa12 cuboctahedra, an edgeedge with one STa4 trigonal pyramid, and a faceface with one TaTa12 cuboctahedra. In the second S site, S is bonded to four Ta atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent TaTa12 cuboctahedra, corners with eight STa4 trigonal pyramids, an edgeedge with one TaTa12 cuboctahedra, and a faceface with one TaTa12 cuboctahedra.
TaS2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
Ta6S crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are six inequivalent Ta sites. In the first Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (2.98 Å) and one longer (3.01 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.55 Å. In the second Ta site, Ta is bonded in a water-like geometry to two equivalent Ta and two equivalent S atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Ta–Ta bond lengths. There are one shorter (2.46 Å) and one longer (2.56 Å) Ta–S bond lengths. In the third Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (3.01 Å) and one longer (3.02 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.51 Å. In the fourth Ta site, Ta is bonded in a water-like geometry to two equivalent Ta and two equivalent S atoms. There are one shorter (2.82 Å) and one longer (2.85 Å) Ta–Ta bond lengths. There are one shorter (2.48 Å) and one longer (2.49 Å) Ta–S bond lengths. In the fifth Ta site, Ta is bonded in a single-bond geometry to two equivalent Ta and one S atom. There are one shorter (2.98 Å) and one longer (3.00 Å) Ta–Ta bond lengths. The Ta–S bond length is 2.49 Å. In the sixth Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner and face-sharing TaTa12 cuboctahedra. Both Ta–Ta bond lengths are 2.66 Å. S is bonded in a 7-coordinate geometry to seven Ta atoms.
TaS3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one TaS3 sheet oriented in the (1, 0, 0) direction. there are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.50–2.60 Å. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.47–2.90 Å. In the third Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Ta–S bond distances ranging from 2.50–2.61 Å. There are nine inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to four Ta5+ atoms. In the second S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. The S–S bond length is 2.12 Å. In the third S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. In the fourth S+1.67- site, S+1.67- is bonded in a distorted L-shaped geometry to two equivalent Ta5+ atoms. In the fifth S+1.67- site, S+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Ta5+ atoms. In the sixth S+1.67- site, S+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Ta5+ atoms. In the seventh S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom. The S–S bond length is 2.08 Å. In the eighth S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to four Ta5+ atoms. In the ninth S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to two equivalent Ta5+ and one S+1.67- atom.
TaS2 is trigonal omega-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TaS2 sheet oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
Ta2S crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded to twelve Ta atoms to form TaTa12 cuboctahedra that share corners with two equivalent TaTa12 cuboctahedra, corners with two equivalent STa6 pentagonal pyramids, corners with six equivalent STa4 trigonal pyramids, edges with two equivalent STa6 pentagonal pyramids, edges with two equivalent STa4 trigonal pyramids, faces with two equivalent TaTa12 cuboctahedra, faces with two equivalent STa6 pentagonal pyramids, and faces with two equivalent STa4 trigonal pyramids. There are a spread of Ta–Ta bond distances ranging from 2.82–2.99 Å. In the second Ta site, Ta is bonded in a distorted T-shaped geometry to two equivalent Ta and three S atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.59 Å. In the third Ta site, Ta is bonded in a 3-coordinate geometry to two equivalent Ta and three S atoms. There are a spread of Ta–S bond distances ranging from 2.46–2.63 Å. In the fourth Ta site, Ta is bonded in a bent 150 degrees geometry to two equivalent Ta and two equivalent S atoms. Both Ta–S bond lengths are 2.46 Å. There are two inequivalent S sites. In the first S site, S is bonded to four Ta atoms to form distorted STa4 trigonal pyramids that share corners with three equivalent TaTa12 cuboctahedra, corners with four equivalent STa6 pentagonal pyramids, corners with three equivalent STa4 trigonal pyramids, an edgeedge with one TaTa12 cuboctahedra, and a faceface with one TaTa12 cuboctahedra. In the second S site, S is bonded to six Ta atoms to form distorted STa6 pentagonal pyramids that share corners with two equivalent TaTa12 cuboctahedra, corners with eight equivalent STa4 trigonal pyramids, edges with two equivalent TaTa12 cuboctahedra, edges with two equivalent STa6 pentagonal pyramids, and faces with two equivalent TaTa12 cuboctahedra.
TaS2 is trigonal omega-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of six TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form edge-sharing TaS6 octahedra. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.
Ta7S12 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ta7S12 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ta+3.43+ sites. In the first Ta+3.43+ site, Ta+3.43+ is bonded to six S2- atoms to form a mixture of distorted face and edge-sharing TaS6 pentagonal pyramids. There are three shorter (2.47 Å) and three longer (2.51 Å) Ta–S bond lengths. In the second Ta+3.43+ site, Ta+3.43+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 45°. There are three shorter (2.48 Å) and three longer (2.50 Å) Ta–S bond lengths. In the third Ta+3.43+ site, Ta+3.43+ is bonded to six equivalent S2- atoms to form a mixture of face and corner-sharing TaS6 octahedra. All Ta–S bond lengths are 2.47 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Ta+3.43+ atoms to form a mixture of distorted edge and corner-sharing STa4 trigonal pyramids. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three Ta+3.43+ atoms.
Ta5S8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Ta5S8 sheets oriented in the (1, 0, 0) direction. there are three inequivalent Ta+3.20+ sites. In the first Ta+3.20+ site, Ta+3.20+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing TaS6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 43–45°. There are a spread of Ta–S bond distances ranging from 2.46–2.53 Å. In the second Ta+3.20+ site, Ta+3.20+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing TaS6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ta–S bond distances ranging from 2.45–2.54 Å. In the third Ta+3.20+ site, Ta+3.20+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing TaS6 octahedra. There are two shorter (2.45 Å) and four longer (2.53 Å) Ta–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to four Ta+3.20+ atoms to form distorted corner-sharing STa4 trigonal pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Ta+3.20+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Ta+3.20+ atoms. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to three Ta+3.20+ atoms.
TaS2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.
TaS2 is Molybdenite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.48 Å. S2- is bonded in a distorted T-shaped geometry to three equivalent Ta4+ atoms.