Materials Data on Na5MoNO4 by Materials Project
Na5MoNO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent MoNO4 trigonal bipyramids and edges with two equivalent NaO4 trigonal pyramids. There are two shorter (2.31 Å) and two longer (2.48 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to one N3- and four equivalent O2- atoms. The Na–N bond length is 2.43 Å. There are two shorter (2.38 Å) and two longer (2.44 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.26 Å. Mo6+ is bonded to one N3- and four equivalent O2- atoms to form distorted MoNO4 trigonal bipyramids that share corners with eight equivalent NaO4 trigonal pyramids. The Mo–N bond length is 1.76 Å. All Mo–O bond lengths are 1.99 Å. N3- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Mo6+ atom. O2- is bonded to five Na1+ and one Mo6+ atom to form a mixture of corner, edge, and face-sharing ONa5Mo octahedra. The corner-sharing octahedra tilt angles range from 0–39°.
- 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:
- 1273195
- Report Number(s):
- mp-565866
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na5Y(MoO4)4 by Materials Project
Materials Data on Na5Tb(MoO4)4 by Materials Project