Materials Data on RbCdGeAs2 by Materials Project
RbCdGeAs2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to one Rb1+ and seven As3- atoms. The Rb–Rb bond length is 3.87 Å. There are a spread of Rb–As bond distances ranging from 3.47–4.06 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to one Rb1+ and seven As3- atoms. There are a spread of Rb–As bond distances ranging from 3.48–3.87 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form distorted edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–2.96 Å. In the second Cd2+ site, Cd2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Cd–As bond distances ranging from 2.69–2.75 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ge–As bond distances ranging from 2.49–2.53 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.49 Å) and two longer (2.51 Å) Ge–As bond lengths. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four Rb1+, three Cd2+, and one Ge3+ atom. In the second As3- site, As3- is bonded to three Rb1+, one Cd2+, and two Ge3+ atoms to form a mixture of distorted corner and edge-sharing AsRb3CdGe2 octahedra. The corner-sharing octahedra tilt angles range from 68–99°. In the third As3- site, As3- is bonded in a 7-coordinate geometry to four Rb1+, two Cd2+, and one Ge3+ atom. In the fourth As3- site, As3- is bonded to three Rb1+, one Cd2+, and two Ge3+ atoms to form a mixture of corner and edge-sharing AsRb3CdGe2 octahedra. The corner-sharing octahedra tilt angles range from 68–99°.