Materials Data on KCeAgTe4 by Materials Project
KCeAgTe4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of K–Te bond distances ranging from 3.45–3.82 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of K–Te bond distances ranging from 3.45–3.82 Å. There are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Ce–Te bond distances ranging from 3.25–3.29 Å. In the second Ce4+ site, Ce4+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Ce–Te bond distances ranging from 3.26–3.29 Å. Ag3+ is bonded to four Te2- atoms to form a mixture of edge and corner-sharing AgTe4 tetrahedra. There are three shorter (2.86 Å) and one longer (2.87 Å) Ag–Te bond lengths. There are eight inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing TeCe5 trigonal bipyramids. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Ag3+ atoms. In the third Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ce4+, and four equivalent Te2- atoms. All Te–Te bond lengths are 3.16 Å. In the fourth Te2- site, Te2- is bonded to five Ce4+ atoms to form a mixture of distorted edge and corner-sharing TeCe5 trigonal bipyramids. In the fifth Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ce4+, and four equivalent Te2- atoms. All Te–Te bond lengths are 3.16 Å. In the sixth Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four equivalent Ag3+ atoms. In the seventh Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ce4+, and four equivalent Te2- atoms. In the eighth Te2- site, Te2- is bonded in a 8-coordinate geometry to two equivalent K1+, two equivalent Ce4+, and four equivalent Te2- atoms.