Materials Data on K2Ni(CO5)2 by Materials Project

Abstract

K2Ni(CO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.25 Å. Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.76–2.10 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.23–1.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Ni atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Ni, and one C atom.