Materials Data on RbAg2(AsSe2)3 by Materials Project
RbAg2(AsSe2)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–4.01 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to one Ag1+ and six Se2- atoms. The Ag–Ag bond length is 2.98 Å. There are a spread of Ag–Se bond distances ranging from 2.60–3.69 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.61–3.40 Å. There are three inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.39–2.48 Å. In the second As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.40–2.47 Å. In the third As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of As–Se bond distances ranging from 2.40–2.48 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Ag1+, and two As3+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to one Rb1+, two Ag1+, and one As3+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Ag1+, and two As3+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Rb1+, one Ag1+, and two As3+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Rb1+, three Ag1+, and one As3+ atom. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to one Rb1+, two Ag1+, and one As3+ atom.