Materials Data on Cd3(Pt3O4)10 by Materials Project

Abstract

Cd3(Pt3O4)10 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are thirteen inequivalent Pt+2.47+ sites. In the first Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Pt–O bond distances ranging from 1.99–2.06 Å. In the second Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.06 Å) Pt–O bond lengths. In the third Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fourth Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Pt–O bond lengths. In the fifth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the sixth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the seventh Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pt–O bond lengths. In the eighth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) Pt–O bond lengths. In the ninth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the tenth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the eleventh Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.04 Å. In the twelfth Pt+2.47+ site, Pt+2.47+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. All Pt–O bond lengths are 2.01 Å. In the thirteenth Pt+2.47+ site, Pt+2.47+ is bonded in a square co-planar geometry to four O2- atoms. All Pt–O bond lengths are 2.01 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Cd–O bond lengths are 2.41 Å. In the second Cd2+ site, Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.40 Å) and six longer (2.41 Å) Cd–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the third O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the fourth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the fifth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the sixth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the ninth O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.47+ atoms. In the tenth O2- site, O2- is bonded to three Pt+2.47+ and one Cd2+ atom to form a mixture of edge and corner-sharing OCdPt3 trigonal pyramids.