Materials Data on Si2Ag9NO11 by Materials Project
Ag9Si2NO11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nine inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.85 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.71 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.65 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.20 Å) and one longer (2.60 Å) Ag–O bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the sixth Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with three SiO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.33–2.66 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.84 Å. In the eighth Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.21–2.81 Å. In the ninth Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.21–2.46 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AgO4 trigonal pyramids. There is three shorter (1.66 Å) and one longer (1.67 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one AgO4 trigonal pyramid. All Si–O bond lengths are 1.66 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the fifth O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the seventh O2- site, O2- is bonded to three Ag1+ and one Si4+ atom to form distorted corner-sharing OSiAg3 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to two Ag1+ and one N5+ 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:
- 1737966
- Report Number(s):
- mp-1219350
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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