Materials Data on KU2SbSe8 by Materials Project

Abstract

KU2SbSe8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.45 Å. In the second K1+ site, K1+ is bonded in a distorted pentagonal planar geometry to five Se2- atoms. There are a spread of K–Se bond distances ranging from 2.84–3.43 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the second U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.02 Å. In the third U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. In the fourth U6+ site, U6+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of U–Se bond distances ranging from 2.21–3.01 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 1.99–3.35 Å. In the second Sb3+ site, Sb3+ is bonded in a 1-coordinate geometry to four Se2- atoms. There are a spread of Sb–Se bond distances ranging from 1.99–3.35 Å. There are sixteen inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the second Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the third Se2- site, Se2- is bonded in a distorted single-bond geometry to two U6+ and one Sb3+ atom. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to one K1+, two U6+, and one Sb3+ atom. In the fifth Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the sixth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the seventh Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the eighth Se2- site, Se2- is bonded in a 1-coordinate geometry to one K1+, two U6+, and one Sb3+ atom. In the ninth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the tenth Se2- site, Se2- is bonded in a distorted single-bond geometry to two U6+ and one Sb3+ atom. In the eleventh Se2- site, Se2- is bonded in a distorted linear geometry to one K1+ and one U6+ atom. In the twelfth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the thirteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one U6+ atom. In the fourteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the fifteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom. In the sixteenth Se2- site, Se2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Sb3+ atom.