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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KTe by Materials Project

KTe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are two shorter (3.62 Å) and four longer (3.66 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te1- atoms. There are four shorter (3.58 Å) and two longer (3.62 Å) K–Te bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent Te1- atoms. There are one shorter (2.84 Å) and one longer (3.66 Å) Te–Te bond lengths. In the second Te1- site, Te1- is bonded in a 8-coordinate geometry to six K1+ and one Te1- atom. The Te–Te bond length is 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Te by Materials Project

K2Te is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to four equivalent Te2- atoms to form a mixture of edge and corner-sharing KTe4 tetrahedra. All K–Te bond lengths are 3.56 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTe by Materials Project

KTe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent Te1- atoms to form edge-sharing KTe6 octahedra. All K–Te bond lengths are 3.68 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Te1- atoms. All K–Te bond lengths are 3.56 Å. Te1- is bonded in a 7-coordinate geometry to six K1+ and one Te1- atom. The Te–Te bond length is 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5Te3 by Materials Project

K5Te3 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to two equivalent K1+ and four equivalent Te+1.67- atoms. Both K–K bond lengths are 3.25 Å. All K–Te bond lengths are 3.45 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are a spread of K–Te bond distances ranging from 3.66–3.82 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are a spread of K–Te bond distances ranging from 3.64–3.82 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 10-coordinate geometry to ten K1+ atoms. In the second Te+1.67- site, Te+1.67- is bonded in a 10-coordinate geometry to eight K1+ and one Te+1.67- atom. The Te–Te bond length is 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Te3 by Materials Project

K2Te3 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight Te atoms. There are a spread of K–Te bond distances ranging from 3.56–3.96 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to six equivalent K and one Te atom. The Te–Te bond length is 2.89 Å. In the second Te site, Te is bonded in a 7-coordinate geometry to six equivalent K and one Te atom. The Te–Te bond length is 2.89 Å. In the third Te site, Te is bonded in a 6-coordinate geometry to four equivalent K and two Te atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTe3 by Materials Project

KTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded to twelve Te atoms to form a mixture of corner and face-sharing KTe12 cuboctahedra. There are a spread of K–Te bond distances ranging from 3.39–3.72 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 4-coordinate geometry to four equivalent K and two equivalent Te atoms. Both Te–Te bond lengths are 3.20 Å. In the second Te site, Te is bonded in a 4-coordinate geometry to four equivalent K and two Te atoms. The Te–Te bond length is 3.21 Å.

36 MATERIALS SCIENCE↗