Materials Data on Gd3As5O12 by Materials Project
Gd3As5O12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.64 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (2.20 Å) As–O bond length. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (1.86 Å) As–O bond length. In the third As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.79–2.22 Å. In the fourth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All As–O bond lengths are 1.86 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom.
- 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:
- 1298320
- Report Number(s):
- mp-768273
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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