Materials Data on Ag6Ge2O7 by Materials Project
Ag6Ge2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are twelve inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are two shorter (2.16 Å) and one longer (2.82 Å) Ag–O bond lengths. In the second 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 2.20–2.60 Å. In the third 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 2.33–2.97 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–3.00 Å. In the fifth 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 2.37–2.82 Å. In the sixth Ag1+ site, Ag1+ is bonded to four O2- atoms to form distorted AgO4 trigonal pyramids that share corners with five GeO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.27–2.67 Å. In the seventh 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 2.22–2.82 Å. In the eighth 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 2.32–2.90 Å. In the ninth Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.25–2.67 Å. In the tenth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.86 Å. In the eleventh 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 2.17–2.48 Å. In the twelfth 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 2.18–2.61 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent AgO4 trigonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent AgO4 trigonal pyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. In the third Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.82 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.76–1.81 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Ag1+ and one Ge4+ atom. In the second O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ag1+ and two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Ag1+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the ninth O2- site, O2- is bonded to three Ag1+ and one Ge4+ atom to form distorted corner-sharing OAg3Ge tetrahedra. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and one Ge4+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and two Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Ge4+ atom. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and one Ge4+ 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:
- 1191196
- Report Number(s):
- mp-15487
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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