Materials Data on V2Cd4(TeO5)3 by Materials Project
V2Cd4(TeO5)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one CdO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.72–1.86 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. There are four inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.30–2.60 Å. In the second Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.56 Å. In the third Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.20–2.49 Å. In the fourth Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share a cornercorner with one VO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.22–2.50 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.50 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. In the third Te4+ site, Te4+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Cd2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Cd2+ atom. In the sixth O2- site, O2- is bonded to three Cd2+ and one Te4+ atom to form distorted edge-sharing OCd3Te trigonal pyramids. In the seventh O2- site, O2- is bonded to three Cd2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCd3Te tetrahedra. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Cd2+ atom. In the tenth O2- site, O2- is bonded to three Cd2+ and one Te4+ atom to form a mixture of distorted edge and corner-sharing OCd3Te tetrahedra. In the eleventh O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Cd2+ and one Te4+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one Cd2+ atom. In the fourteenth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Cd2+ atom. In the fifteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Cd2+ and one Te4+ 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:
- 1276646
- Report Number(s):
- mp-578817
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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