Materials Data on Rb4WO5 by Materials Project
Rb4WO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are twelve inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.74–2.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.74–3.08 Å. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 square pyramids that share a cornercorner with one WO5 trigonal bipyramid and edges with two equivalent WO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.77–3.06 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.33 Å. In the fifth Rb1+ site, Rb1+ is bonded to six O2- atoms to form distorted RbO6 octahedra that share corners with four WO5 trigonal bipyramids and an edgeedge with one WO5 trigonal bipyramid. There are a spread of Rb–O bond distances ranging from 2.78–3.34 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.06 Å. In the seventh Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–3.20 Å. In the eighth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.30 Å. In the ninth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.43 Å. In the tenth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.39 Å. In the eleventh Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.12 Å. In the twelfth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.49 Å. There are three inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with two equivalent RbO6 octahedra. The corner-sharing octahedra tilt angles range from 7–42°. There are a spread of W–O bond distances ranging from 1.88–1.96 Å. In the second W6+ site, W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share a cornercorner with one RbO6 octahedra and edges with two equivalent RbO5 square pyramids. The corner-sharing octahedral tilt angles are 20°. There are a spread of W–O bond distances ranging from 1.89–1.96 Å. In the third W6+ site, W6+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share a cornercorner with one RbO6 octahedra, a cornercorner with one RbO5 square pyramid, and an edgeedge with one RbO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are a spread of W–O bond distances ranging from 1.87–1.97 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the thirteenth O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one W6+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one W6+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ 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:
- 1728353
- Report Number(s):
- mp-1209481
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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