Materials Data on RbCe3Te8 by Materials Project

RbCe3Te8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Rb–Te bond distances ranging from 3.67–3.83 Å. There are three inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.24–3.31 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.23–3.31 Å. In the third Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Te+1.25- atoms. There are a spread of Ce–Te bond distances ranging from 3.26–3.36 Å. There are eight inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the second Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two Ce3+, and three Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.01–3.47 Å. In the third Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two Ce3+, and three Te+1.25- atoms. There are a spread of Te–Te bond distances ranging from 3.01–3.46 Å. In the fourth Te+1.25- site, Te+1.25- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing TeCe5 trigonal bipyramids. In the fifth Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to one Rb1+, two equivalent Ce3+, and four Te+1.25- atoms. In the sixth Te+1.25- site, Te+1.25- is bonded in a 7-coordinate geometry to one Rb1+, two Ce3+, and four Te+1.25- atoms. There are one shorter (3.08 Å) and one longer (3.09 Å) Te–Te bond lengths. In the seventh Te+1.25- site, Te+1.25- is bonded in a 4-coordinate geometry to two equivalent Rb1+, two Ce3+, and two equivalent Te+1.25- atoms. In the eighth Te+1.25- site, Te+1.25- is bonded in a 5-coordinate geometry to five Ce3+ atoms.