U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2Cd(PO7)2 by Materials Project
Abstract
V2Cd(PO7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–2.14 Å. In the second V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–2.19 Å. Cd is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.07 Å) and one longer (2.10 Å) Cd–O bond lengths. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–54°. There are amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105353
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; V2Cd(PO7)2; Cd-O-P-V
- OSTI Identifier:
- 1697843
- DOI:
- https://doi.org/10.17188/1697843
Citation Formats
The Materials Project. Materials Data on V2Cd(PO7)2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1697843.
The Materials Project. Materials Data on V2Cd(PO7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1697843
The Materials Project. 2018.
"Materials Data on V2Cd(PO7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1697843. https://www.osti.gov/servlets/purl/1697843. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1697843,
title = {Materials Data on V2Cd(PO7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V2Cd(PO7)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.62–2.14 Å. In the second V site, V is bonded to six O atoms to form distorted VO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–2.19 Å. Cd is bonded in a 2-coordinate geometry to two O atoms. There are one shorter (2.07 Å) and one longer (2.10 Å) Cd–O bond lengths. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–50°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–54°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one V atom. In the second O site, O is bonded in a bent 120 degrees geometry to one V and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one V and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the sixth O site, O is bonded in a single-bond geometry to one V atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the tenth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one V and one Cd atom. In the twelfth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.24 Å) and one longer (1.62 Å) O–O bond length. In the thirteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to one V, one Cd, and one O atom. In the fourteenth O site, O is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1697843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 19 00:00:00 EDT 2018},
month = {Thu Jul 19 00:00:00 EDT 2018}
}