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Materials Data on CsC10 by Materials Project

CsC10 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to twenty-two C+0.10- atoms. There are a spread of Cs–C bond distances ranging from 3.50–3.83 Å. There are three inequivalent C+0.10- sites. In the first C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.10- atoms. There is one shorter (1.43 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.10- atoms. The C–C bond length is 1.45 Å. In the third C+0.10- site, C+0.10- is bonded in a distorted trigonal planar geometry to three equivalent Cs1+ and three C+0.10- atoms. The C–C bond length is 1.43 Å.

36 MATERIALS SCIENCE↗

Materials Data on CsC8 by Materials Project

CsC8 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve C+0.12- atoms to form face-sharing CsC12 cuboctahedra. All Cs–C bond lengths are 3.38 Å. There are five inequivalent C+0.12- sites. In the first C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.12- atoms. All C–C bond lengths are 1.44 Å. In the second C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.12- atoms. Both C–C bond lengths are 1.44 Å. In the third C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.12- atoms. The C–C bond length is 1.44 Å. In the fourth C+0.12- site, C+0.12- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.12- atoms. All C–C bond lengths are 1.44 Å. In the fifth C+0.12- site, C+0.12- is bonded in a trigonal planar geometry to three C+0.12- atoms.

36 MATERIALS SCIENCE↗

Materials Data on CsC by Materials Project

CCs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded to five C atoms to form distorted edge-sharing CsC5 square pyramids. There are a spread of Cs–C bond distances ranging from 3.33–3.53 Å. In the second Cs site, Cs is bonded in a 4-coordinate geometry to seven C atoms. There are a spread of Cs–C bond distances ranging from 3.31–3.59 Å. There are two inequivalent C sites. In the first C site, C is bonded in a 6-coordinate geometry to six Cs and one C atom. The C–C bond length is 1.27 Å. In the second C site, C is bonded in a 7-coordinate geometry to six Cs and one C atom.

36 MATERIALS SCIENCE↗

Materials Data on CsC15 by Materials Project

CsC15 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to twenty-two C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.61–3.72 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to eighteen C+0.07- atoms. There are a spread of Cs–C bond distances ranging from 3.36–3.78 Å. There are nine inequivalent C+0.07- sites. In the first C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and two longer (1.45 Å) C–C bond length. In the second C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There are a spread of C–C bond distances ranging from 1.42–1.46 Å. In the third C+0.07- site, C+0.07- is bonded in a 4-coordinate geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.42 Å) and two longer (1.45 Å) C–C bond length. In the fourth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two equivalent Cs1+ and three C+0.07- atoms. The C–C bond length is 1.41 Å. In the fifth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.43 Å) and one longer (1.45 Å) C–C bond length. In the sixth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to two Cs1+ and three C+0.07- atoms. There is one shorter (1.44 Å) and one longer (1.46 Å) C–C bond length. In the seventh C+0.07- site, C+0.07- is bonded in a 3-coordinate geometry to one Cs1+ and three C+0.07- atoms. The C–C bond length is 1.45 Å. In the eighth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms. There is one shorter (1.41 Å) and one longer (1.46 Å) C–C bond length. In the ninth C+0.07- site, C+0.07- is bonded in a distorted trigonal planar geometry to one Cs1+ and three C+0.07- atoms.

36 MATERIALS SCIENCE↗