Materials Data on Sb2P2C2O7 by Materials Project
(C)2Sb2P2O7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ethyne molecules and two Sb2P2O7 sheets oriented in the (0, 1, 0) direction. In each Sb2P2O7 sheet, there are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded to five O2- atoms to form distorted corner-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 1.97–2.65 Å. In the second Sb2- site, Sb2- is bonded to four O2- atoms to form distorted corner-sharing SbO4 trigonal pyramids. There are a spread of Sb–O bond distances ranging from 1.97–2.48 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Sb2- and one P5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sb2- and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb2- and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb2- and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb2- atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb2- and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb2- and one P5+ atom.