Materials Data on MgP(CO4)2 by Materials Project

Abstract

MgP(CO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two MgP(CO4)2 ribbons oriented in the (0, 0, 1) direction. Mg is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mg–O bond distances ranging from 1.95–2.62 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted linear geometry to one P and one O atom. The C–P bond length is 2.00 Å. The C–O bond length is 1.14 Å. In the second C site, C is bonded in a linear geometry to two O atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. P is bonded in a distorted trigonal planar geometry to one C and three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg and one C atom. In the second O site, O is bonded in a single-bond geometry to one C atom. In the third O site, O is bonded in a single-bond geometry to one Mg atom. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Mg and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one C atom.