Materials Data on P2O9 by Materials Project
P2O9 is beta oxygen-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four P2O9 clusters. there are four inequivalent P sites. In the first P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There is one shorter (1.61 Å) and four longer (1.66 Å) P–O bond length. In the second P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.61–1.68 Å. In the third P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.62–1.67 Å. In the fourth P site, P is bonded to five O atoms to form distorted corner-sharing PO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.63–1.67 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eighth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the eleventh O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.46 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the fourteenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom. The O–O bond length is 1.47 Å. In the seventeenth O site, O is bonded in an L-shaped geometry to two O atoms. The O–O bond length is 1.47 Å. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one P and one O atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1205548
- Report Number(s):
- mp-31272
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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