Materials Data on Rb2Cd3Te4 by Materials Project
Rb2Cd3Te4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.12 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.22 Å. In the third Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.87–4.07 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.83–3.03 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.79–3.01 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.82–2.99 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four Rb1+ and four Cd2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Cd2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the fifth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms.