Materials Data on K5Pt4(N3O8)3 by Materials Project

Abstract

K5Pt4(N3O8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.17 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.28 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.23 Å. In the fourth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.29 Å. In the fifth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. There are four inequivalent Pt+5.50+ sites. In the first Pt+5.50+ site, Pt+5.50+ is bonded in an L-shaped geometry to two O2- atoms. Both Pt–O bond lengths are 2.08 Å. In the second Pt+5.50+ site, Pt+5.50+ is bonded in an L-shaped geometry to two O2- atoms. There are one shorter (2.06 Å) and one longer (2.08 Å) Pt–O bond lengths. In the third Pt+5.50+ site, Pt+5.50+ is bonded in an L-shaped geometry to two O2- atoms. Both Pt–O bond lengths are 2.08 Å. In the fourth Pt+5.50+ site, Pt+5.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pt–O bond distances ranging from 2.07–2.09 Å. There are nine inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the fourth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fifth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the sixth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the seventh N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the eighth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.24 Å. In the ninth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.24 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+ and three Pt+5.50+ atoms to form distorted edge-sharing OKPt3 tetrahedra. In the second O2- site, O2- is bonded to one K1+ and three Pt+5.50+ atoms to form distorted edge-sharing OKPt3 tetrahedra. In the third O2- site, O2- is bonded to one K1+ and three Pt+5.50+ atoms to form distorted edge-sharing OKPt3 tetrahedra. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+2.33+ atom. In the thirteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one N+2.33+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+2.33+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to three K1+ and one N+2.33+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.33+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.33+ atom. In the nineteenth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N+2.33+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one K1+ and one N+2.33+ atom. In the twenty-first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+ and one N+2.33+ atom. In the twenty-second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one O2- atom. The O–O bond length is 1.24 Å. In the twenty-third O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one O2- atom. In the twenty-fourth O2- site, O2- is bonded in a distorted L-shaped geometry to two K1+ atoms.