Materials Data on Rb3P3(HO3)4 by Materials Project
Rb3P3H2O11H2O crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one Rb3P3H2O11 framework. In the Rb3P3H2O11 framework, there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 1-coordinate geometry to one P, one H, and seven O atoms. The Rb–P bond length is 2.35 Å. The Rb–H bond length is 2.59 Å. There are a spread of Rb–O bond distances ranging from 2.26–3.35 Å. In the second Rb site, Rb is bonded in a 1-coordinate geometry to one O atom. The Rb–O bond length is 2.20 Å. In the third Rb site, Rb is bonded in a 3-coordinate geometry to one H and three O atoms. The Rb–H bond length is 2.43 Å. There are a spread of Rb–O bond distances ranging from 2.27–3.12 Å. There are three inequivalent P sites. In the first P site, P is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of P–O bond distances ranging from 1.35–1.57 Å. In the second P site, P is bonded in a 1-coordinate geometry to one Rb and three O atoms. There are a spread of P–O bond distances ranging from 1.09–1.79 Å. In the third P site, P is bonded in a 1-coordinate geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.50–2.46 Å. There are two inequivalent H sites. In the first H site, H is bonded in a distorted single-bond geometry to one Rb and one O atom. The H–O bond length is 1.43 Å. In the second H site, H is bonded in a single-bond geometry to one Rb and one O atom. The H–O bond length is 1.16 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and two H atoms. In the second O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the third O site, O is bonded in an L-shaped geometry to one Rb and one O atom. The O–O bond length is 1.82 Å. In the fourth O site, O is bonded in a single-bond geometry to one P atom. In the fifth O site, O is bonded in a 2-coordinate geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one P atom. In the eighth O site, O is bonded in a distorted T-shaped geometry to two equivalent Rb and one P atom. In the ninth O site, O is bonded in a 2-coordinate geometry to two Rb and one P atom. In the tenth O site, O is bonded in a single-bond geometry to one P atom. In the eleventh O site, O is bonded in a 2-coordinate geometry to two P atoms.
- 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:
- 1287772
- Report Number(s):
- mp-734561
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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