U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd(AsO4)4 by Materials Project
Abstract
Cd(AsO4)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cd(AsO4)4 ribbon oriented in the (1, 0, 0) direction. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.34 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share a cornercorner with one CdO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the second O site, O is bonded in a single-bond geometry to one As atom. In the third O site, O is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1190591
- 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; Cd(AsO4)4; As-Cd-O
- OSTI Identifier:
- 1741893
- DOI:
- https://doi.org/10.17188/1741893
Citation Formats
The Materials Project. Materials Data on Cd(AsO4)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741893.
The Materials Project. Materials Data on Cd(AsO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1741893
The Materials Project. 2020.
"Materials Data on Cd(AsO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1741893. https://www.osti.gov/servlets/purl/1741893. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1741893,
title = {Materials Data on Cd(AsO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(AsO4)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cd(AsO4)4 ribbon oriented in the (1, 0, 0) direction. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.34 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share a cornercorner with one CdO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the second O site, O is bonded in a single-bond geometry to one As atom. In the third O site, O is bonded in a single-bond geometry to one As atom. In the fourth O site, O is bonded in a single-bond geometry to one As atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the sixth O site, O is bonded in a single-bond geometry to one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one As atom.},
doi = {10.17188/1741893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}