Materials Data on SrV10O15 by Materials Project
SrV10O15 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sr2+ is bonded to twelve O2- atoms to form distorted SrO12 cuboctahedra that share corners with sixteen VO6 octahedra, edges with six VO6 octahedra, and faces with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 21–51°. There are a spread of Sr–O bond distances ranging from 2.72–3.16 Å. There are three inequivalent V+2.80+ sites. In the first V+2.80+ site, V+2.80+ is bonded to six O2- atoms to form VO6 octahedra that share corners with seven VO6 octahedra, an edgeedge with one SrO12 cuboctahedra, edges with six VO6 octahedra, and a faceface with one SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–55°. There are a spread of V–O bond distances ranging from 2.05–2.28 Å. In the second V+2.80+ site, V+2.80+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent SrO12 cuboctahedra, corners with five VO6 octahedra, an edgeedge with one SrO12 cuboctahedra, and edges with seven VO6 octahedra. The corner-sharing octahedra tilt angles range from 0–58°. There are a spread of V–O bond distances ranging from 1.99–2.22 Å. In the third V+2.80+ site, V+2.80+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent SrO12 cuboctahedra, corners with five VO6 octahedra, edges with five VO6 octahedra, a faceface with one SrO12 cuboctahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 10–52°. There are a spread of V–O bond distances ranging from 2.07–2.11 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+ and four V+2.80+ atoms. In the second O2- site, O2- is bonded to six V+2.80+ atoms to form a mixture of corner and edge-sharing OV6 octahedra. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to one Sr2+ and four V+2.80+ atoms. In the fourth O2- site, O2- is bonded to one Sr2+ and three V+2.80+ atoms to form distorted OSrV3 tetrahedra that share a cornercorner with one OV6 octahedra, a cornercorner with one OSrV3 tetrahedra, and an edgeedge with one OV6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four V+2.80+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and four V+2.80+ atoms.
- 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:
- 1194656
- Report Number(s):
- mp-19509
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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