Materials Data on LaAs2Au by Materials Project
LaAuAs2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (3.09 Å) and four longer (3.21 Å) La–As bond lengths. Au3+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing AuAs4 tetrahedra. All Au–As bond lengths are 2.77 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Au3+ atoms. In the third As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent As3- atoms. In the fifth As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As3- atoms. All As–As bond lengths are 2.94 Å. In the sixth As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent As3- 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:
- 1355344
- Report Number(s):
- mp-1025531
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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