Materials Data on Er(ReO4)2 by Materials Project
Er(ReO4)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Er(ReO4)2 sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six equivalent ReO4 tetrahedra. There are three shorter (2.23 Å) and three longer (2.24 Å) Er–O bond lengths. Re+6.50+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with three equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 19–20°. There is one shorter (1.75 Å) and three longer (1.78 Å) Re–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Re+6.50+ atom. The O–Re bond length is 1.75 Å. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Re+6.50+ atom. The O–Re bond length is 1.78 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:
- 1289830
- Report Number(s):
- mp-755194
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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