Materials Data on BaSrEu4O8 by Materials Project
BaSrEu4O8 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ba–O bond distances ranging from 2.78–3.04 Å. Sr2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.67–3.18 Å. There are four inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of Eu–O bond distances ranging from 2.31–2.45 Å. In the second Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Eu–O bond distances ranging from 2.32–2.48 Å. In the third Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Eu–O bond distances ranging from 2.38–2.43 Å. In the fourth Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing EuO6 octahedra. The corner-sharing octahedra tilt angles range from 52–63°. There are a spread of Eu–O bond distances ranging from 2.29–2.47 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Eu3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three Eu3+ atoms to form a mixture of edge and corner-sharing OSr2Eu3 square pyramids. In the fourth O2- site, O2- is bonded to two equivalent Ba2+ and three Eu3+ atoms to form distorted OBa2Eu3 square pyramids that share corners with two equivalent OBa2Eu3 trigonal bipyramids, edges with four OSr2Eu3 square pyramids, and an edgeedge with one OBa2Eu3 trigonal bipyramid. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Ba2+ and three Eu3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and three Eu3+ atoms. In the seventh O2- site, O2- is bonded to two equivalent Sr2+ and three Eu3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Eu3 trigonal bipyramids. In the eighth O2- site, O2- is bonded to two equivalent Ba2+ and three Eu3+ atoms to form distorted OBa2Eu3 trigonal bipyramids that share corners with two equivalent OBa2Eu3 square pyramids, an edgeedge with one OBa2Eu3 square pyramid, and edges with four OSr2Eu3 trigonal bipyramids.
- 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:
- 1721285
- Report Number(s):
- mp-1227979
- Country of Publication:
- United States
- Language:
- English
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