Materials Data on Nd2Mo6PtO38 by Materials Project

Abstract

Nd2Mo6PtO38 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.59 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.14 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.22 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.26 Å. Pt is bonded in an octahedral geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.19 Å) Pt–O bond lengths. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Nd and two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Nd and one Mo atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Nd atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom.