Materials Data on Rb4NaW2N5O by Materials Project
Rb4NaW2N5O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to two equivalent N3- and one O2- atom. There are one shorter (3.10 Å) and one longer (3.12 Å) Rb–N bond lengths. The Rb–O bond length is 2.95 Å. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to five N3- and one O2- atom. There are a spread of Rb–N bond distances ranging from 3.10–3.57 Å. The Rb–O bond length is 2.87 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to three N3- and two equivalent O2- atoms. There are a spread of Rb–N bond distances ranging from 2.86–3.15 Å. There are one shorter (3.07 Å) and one longer (3.31 Å) Rb–O bond lengths. In the fourth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are a spread of Rb–N bond distances ranging from 2.92–3.08 Å. Na1+ is bonded to four N3- atoms to form distorted NaN4 tetrahedra that share corners with four WN3O tetrahedra and edges with two equivalent NaN4 tetrahedra. There are a spread of Na–N bond distances ranging from 2.43–2.48 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to three N3- and one O2- atom to form WN3O tetrahedra that share corners with two equivalent NaN4 tetrahedra and corners with two equivalent WN4 tetrahedra. There is one shorter (1.82 Å) and two longer (1.93 Å) W–N bond length. The W–O bond length is 1.87 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with two equivalent NaN4 tetrahedra and corners with two equivalent WN3O tetrahedra. There are a spread of W–N bond distances ranging from 1.83–2.00 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Rb1+, two equivalent Na1+, and one W6+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to five Rb1+ and one W6+ atom. In the fourth N3- site, N3- is bonded in a 7-coordinate geometry to two equivalent Rb1+, two equivalent Na1+, and one W6+ atom. In the fifth N3- site, N3- is bonded in a 2-coordinate geometry to two Rb1+ and two W6+ atoms. O2- is bonded in a 1-coordinate geometry to four 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:
- 1706980
- Report Number(s):
- mp-1173505
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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