Materials Data on CeAgAs2 by Materials Project
CeAgAs2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ce–As bond distances ranging from 3.02–3.07 Å. There are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and three longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Ag–Ag bond lengths. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the fifth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. Both Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. Both Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the seventh Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. In the eighth Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four As2- atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Ag–As bond lengths. There are three inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four Ag1+ atoms. In the third As2- site, As2- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent As2- atoms. There are a spread of As–As bond distances ranging from 2.86–2.92 Å.
- 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:
- 1316747
- Report Number(s):
- mp-985705
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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