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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoPNO10 by Materials Project

(CoO3)2N2(PO3)2(O2)4 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two ammonia molecules, four oxygen molecules, two phosphonic acid molecules, and two CoO3 clusters. In each CoO3 cluster, Co is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.58 Å) and two longer (1.59 Å) Co–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In the third O site, O is bonded in a single-bond geometry to one Co atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPNO10 by Materials Project

CoPO9NO crystallizes in the orthorhombic Pmn2_1 space group. The structure is one-dimensional and consists of two nitroxyl molecules and two CoPO9 ribbons oriented in the (1, 0, 0) direction. In each CoPO9 ribbon, Co is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.62–2.03 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–1.68 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Co and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Co and one O atom. The O–O bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Co and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one Co atom.

36 MATERIALS SCIENCE↗