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Materials Data on NpTe by Materials Project

NpTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All Np–Te bond lengths are 3.27 Å. Te is bonded in a body-centered cubic geometry to eight equivalent Np atoms.

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Materials Data on Np3Te4 by Materials Project

Np3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Np is bonded to eight equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing NpTe8 hexagonal bipyramids. There are four shorter (3.15 Å) and four longer (3.30 Å) Np–Te bond lengths. Te is bonded to six equivalent Np atoms to form a mixture of distorted face, edge, and corner-sharing TeNp6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

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Materials Data on NpTe by Materials Project

NpTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded to six equivalent Te atoms to form a mixture of corner and edge-sharing NpTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Np–Te bond lengths are 3.11 Å. Te is bonded to six equivalent Np atoms to form a mixture of corner and edge-sharing TeNp6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on NpTe2 by Materials Project

NpTe2.0 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.24–3.26 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five equivalent Np4+ atoms to form a mixture of distorted edge and corner-sharing TeNp5 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Np4+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗

Materials Data on NpTe3 by Materials Project

NpTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpTe3 sheets oriented in the (0, 1, 0) direction. Np6+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.06–3.45 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to six equivalent Np6+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to one Np6+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.12 Å. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on NpTe3 by Materials Project

NpTe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np6+ is bonded to twelve equivalent Te2- atoms to form a mixture of corner and face-sharing NpTe12 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.50 Å) Np–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to four equivalent Np6+ and eight equivalent Te2- atoms. There are a spread of Te–Te bond distances ranging from 3.16–3.59 Å.

36 MATERIALS SCIENCE↗

Materials Data on NpTe3 by Materials Project

NpTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpTe3 sheets oriented in the (0, 1, 0) direction. Np6+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.19–3.24 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five equivalent Np6+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Np6+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Np6+ and four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Np2Te3 by Materials Project

Np2Te3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Np3+ sites. In the first Np3+ site, Np3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NpTe8 hexagonal bipyramids. There are a spread of Np–Te bond distances ranging from 3.12–3.31 Å. In the second Np3+ site, Np3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NpTe8 hexagonal bipyramids. There are a spread of Np–Te bond distances ranging from 3.13–3.33 Å. In the third Np3+ site, Np3+ is bonded to eight Te2- atoms to form a mixture of distorted face, edge, and corner-sharing NpTe8 hexagonal bipyramids. There are a spread of Np–Te bond distances ranging from 3.13–3.32 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to six Np3+ atoms. In the second Te2- site, Te2- is bonded to five Np3+ atoms to form a mixture of distorted face, edge, and corner-sharing TeNp5 square pyramids. In the third Te2- site, Te2- is bonded to five Np3+ atoms to form a mixture of distorted face, edge, and corner-sharing TeNp5 square pyramids.

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