Materials Data on Ag2Hg3 by Materials Project
Ag2Hg3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are a spread of Ag–Ag bond distances ranging from 3.07–3.12 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.43 Å. In the second Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.24 Å. There are a spread of Ag–Hg bond distances ranging from 2.97–3.27 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are one shorter (2.94 Å) and one longer (3.09 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.94–3.47 Å. In the fourth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. There are one shorter (3.07 Å) and one longer (3.20 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.90–3.25 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. There are one shorter (3.07 Å) and one longer (3.13 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.91–3.15 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.90–3.20 Å. In the seventh Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.15 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.22 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (3.12 Å) and one longer (3.15 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.92–3.14 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are one shorter (3.05 Å) and one longer (3.16 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 3.00–3.28 Å. In the tenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (2.96 Å) and one longer (3.09 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.93–3.29 Å. In the eleventh Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.14 Å. There are a spread of Ag–Hg bond distances ranging from 2.95–3.29 Å. In the twelfth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.00 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.21 Å. In the thirteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.44 Å. In the fourteenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (2.98 Å) and one longer (3.27 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.93–3.32 Å. In the fifteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.11 Å. There are a spread of Ag–Hg bond distances ranging from 2.91–3.51 Å. In the sixteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.17 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.40 Å. In the seventeenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.12 Å. There are a spread of Ag–Hg bond distances ranging from 2.92–3.25 Å. In the eighteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.26 Å. In the nineteenth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. The Ag–Ag bond length is 2.97 Å. There are a spread of Ag–Hg bond distances ranging from 2.89–3.19 Å. In the twentieth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are a spread of Ag–Hg bond distances ranging from 2.94–3.32 Å. There are thirty inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.07–3.19 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.96–3.17 Å. In the third Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are one shorter (3.08 Å) and one longer (3.13 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.24 Å. In the fifth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.12 Å. In the sixth Hg site, Hg is bonded in a 8-coordinate geometry to five Ag and three Hg atoms. There are one shorter (3.03 Å) and one longer (3.06 Å) Hg–Hg bond lengths. In the seventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.26 Å. In the eighth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.27 Å. In the ninth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are one shorter (3.00 Å) and one longer (3.16 Å) Hg–Hg bond lengths. In the tenth Hg site, Hg is bonded in a 9-coordinate geometry to five Ag and four Hg atoms. The Hg–Hg bond length is 3.02 Å. In the eleventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. The Hg–Hg bond length is 3.15 Å. In the twelfth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.08 Å. In the thirteenth Hg site, Hg is bonded in a 8-coordinate geometry to six Ag and two Hg atoms. The Hg–Hg bond length is 3.07 Å. In the fourteenth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.14 Å. In the fifteenth Hg site, Hg is bonded in a 11-coordinate geometry to five Ag and six Hg atoms. The Hg–Hg bond length is 3.31 Å. In the sixteenth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.15 Å. In the seventeenth Hg site, Hg is bonded in a 12-coordinate geometry to five Ag and six Hg atoms. The Hg–Hg bond length is 3.04 Å. In the eighteenth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.14 Å. In the nineteenth Hg site, Hg is bonded in a 8-coordinate geometry to six Ag and two Hg atoms. The Hg–Hg bond length is 3.04 Å. In the twentieth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are one shorter (3.05 Å) and one longer (3.09 Å) Hg–Hg bond lengths. In the twenty-first Hg site, Hg is bonded in a 12-coordinate geometry to six Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.05–3.24 Å. In the twenty-second Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.96–3.11 Å. In the twenty-third Hg site, Hg is bonded in a 9-coordinate geometry to five Ag and four Hg atoms. There are one shorter (3.06 Å) and one longer (3.13 Å) Hg–Hg bond lengths. In the twenty-fourth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Hg–Hg bond lengths. In the twenty-fifth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. In the twenty-sixth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and four Hg atoms. In the twenty-seventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. The Hg–Hg bond length is 3.06 Å. In the twenty-eighth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.07 Å. In the twenty-ninth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and four Hg atoms. In the thirtieth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and five Hg atoms.
- 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:
- 1299401
- Report Number(s):
- mp-770023
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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