Materials Data on Eu(GaAs)2 by Materials Project
Eu(GaAs)2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six As3- atoms to form edge-sharing EuAs6 octahedra. There are a spread of Eu–As bond distances ranging from 3.14–3.19 Å. In the second Eu2+ site, Eu2+ is bonded to six As3- atoms to form edge-sharing EuAs6 octahedra. There are two shorter (3.03 Å) and four longer (3.11 Å) Eu–As bond lengths. In the third Eu2+ site, Eu2+ is bonded to six As3- atoms to form edge-sharing EuAs6 octahedra. All Eu–As bond lengths are 3.07 Å. There are four inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.56 Å) Ga–As bond lengths. In the second Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. All Ga–As bond lengths are 2.57 Å. In the third Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.52 Å) and two longer (2.57 Å) Ga–As bond lengths. In the fourth Ga2+ site, Ga2+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. All Ga–As bond lengths are 2.55 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to three Eu2+ and three Ga2+ atoms to form a mixture of corner and edge-sharing AsEu3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 0–78°. In the second As3- site, As3- is bonded to three Eu2+ and three Ga2+ atoms to form a mixture of corner and edge-sharing AsEu3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 0–78°. In the third As3- site, As3- is bonded to three Eu2+ and three Ga2+ atoms to form a mixture of corner and edge-sharing AsEu3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. In the fourth As3- site, As3- is bonded to three Eu2+ and three Ga2+ atoms to form a mixture of corner and edge-sharing AsEu3Ga3 octahedra. The corner-sharing octahedra tilt angles range from 0–13°.
- 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:
- 1726637
- Report Number(s):
- mp-1225526
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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