Materials Data on SrCa2WN4 by Materials Project
SrCa2WN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.04 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.42–2.90 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.96 Å. W6+ is bonded in a tetrahedral geometry to four N3- atoms. There is one shorter (1.88 Å) and three longer (1.89 Å) W–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W square pyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Sr2+, three Ca2+, and one W6+ atom. In the third N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W trigonal bipyramids. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three Ca2+, 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:
- 1273933
- Report Number(s):
- mp-567568
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Sr3CaCN4 by Materials Project
Materials Data on Sr4GaN3O by Materials Project