Materials Data on Eu3(GeAs2)2 by Materials Project
Eu3(GeAs2)2 crystallizes in the monoclinic P2_1/c 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 a mixture of edge and corner-sharing EuAs6 octahedra. The corner-sharing octahedra tilt angles range from 4–7°. There are a spread of Eu–As bond distances ranging from 3.07–3.18 Å. In the second Eu2+ site, Eu2+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing EuAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–5°. There are a spread of Eu–As bond distances ranging from 3.08–3.21 Å. In the third Eu2+ site, Eu2+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing EuAs6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. There are a spread of Eu–As bond distances ranging from 3.05–3.17 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ge–As bond distances ranging from 2.45–2.54 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are a spread of Ge–As bond distances ranging from 2.49–2.53 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to four Eu2+ and two equivalent Ge3+ atoms to form a mixture of edge and corner-sharing AsEu4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 4–91°. In the second As3- site, As3- is bonded to five Eu2+ and one Ge3+ atom to form a mixture of edge and corner-sharing AsEu5Ge octahedra. The corner-sharing octahedra tilt angles range from 2–86°. In the third As3- site, As3- is bonded to four Eu2+ and two Ge3+ atoms to form a mixture of edge and corner-sharing AsEu4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 4–91°. In the fourth As3- site, As3- is bonded to five Eu2+ and one Ge3+ atom to form a mixture of edge and corner-sharing AsEu5Ge octahedra. The corner-sharing octahedra tilt angles range from 2–91°.
- 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:
- 1728328
- Report Number(s):
- mp-1200526
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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