Materials Data on ErMnGa by Materials Project
ErMnGa crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are four shorter (3.20 Å) and two longer (3.23 Å) Er–Mn bond lengths. There are three shorter (2.93 Å) and two longer (2.94 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are a spread of Er–Mn bond distances ranging from 3.21–3.26 Å. There are a spread of Er–Ga bond distances ranging from 2.91–2.94 Å. In the third Er site, Er is bonded in a 5-coordinate geometry to six Mn and five Ga atoms. There are two shorter (3.19 Å) and four longer (3.25 Å) Er–Mn bond lengths. There are a spread of Er–Ga bond distances ranging from 2.92–2.94 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Er, two Mn, and four Ga atoms. There are one shorter (2.88 Å) and one longer (2.89 Å) Mn–Mn bond lengths. There are a spread of Mn–Ga bond distances ranging from 2.60–2.79 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Er, two equivalent Mn, and four Ga atoms. There are two shorter (2.60 Å) and two longer (2.77 Å) Mn–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Er and three Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Er and six Mn atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1685135
- Report Number(s):
- mp-1188293
- Country of Publication:
- United States
- Language:
- English
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