Materials Data on Rb2Bi(ClO4)5 by Materials Project
Rb2Bi(O4Cl)5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to twelve O atoms. There are a spread of Rb–O bond distances ranging from 3.00–3.56 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.44 Å. Bi is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Bi–O bond distances ranging from 2.30–2.85 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Cl atom. The O–Cl bond length is 1.45 Å. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the fourth O site, O is bonded in a 2-coordinate geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.51 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the seventh O site, O is bonded in a single-bond geometry to two Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the eighth O site, O is bonded in a water-like geometry to one Bi and one Cl atom. The O–Cl bond length is 1.52 Å. In the ninth O site, O is bonded in a single-bond geometry to two Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.47 Å. In the thirteenth O site, O is bonded in a single-bond geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.48 Å. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Bi and one Cl atom. The O–Cl bond length is 1.47 Å. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.47 Å. In the sixteenth O site, O is bonded in a distorted single-bond geometry to two Rb and one Cl atom. The O–Cl bond length is 1.44 Å. In the seventeenth O site, O is bonded in a 2-coordinate geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.56 Å. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one Bi and one Cl atom. The O–Cl bond length is 1.47 Å. In the nineteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Bi, and one Cl atom. The O–Cl bond length is 1.54 Å. In the twentieth O site, O is bonded in a distorted bent 150 degrees geometry to one Rb and one Cl atom. The O–Cl bond length is 1.44 Å. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the third Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the fourth Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the fifth Cl site, Cl is bonded in a tetrahedral geometry to four O 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:
- 1269916
- Report Number(s):
- mp-557599
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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