Materials Data on RbErSeCl2O3 by Materials Project
Abstract
RbErSeO3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to one O2- and five Cl1- atoms. The Rb–O bond length is 3.03 Å. There are a spread of Rb–Cl bond distances ranging from 3.33–3.50 Å. Er3+ is bonded to five O2- and two Cl1- atoms to form edge-sharing ErCl2O5 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.41 Å. There are one shorter (2.63 Å) and one longer (2.65 Å) Er–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+, one Er3+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Se4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-557019
- 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; RbErSeCl2O3; Cl-Er-O-Rb-Se
- OSTI Identifier:
- 1269655
- DOI:
- https://doi.org/10.17188/1269655
Citation Formats
The Materials Project. Materials Data on RbErSeCl2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269655.
The Materials Project. Materials Data on RbErSeCl2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1269655
The Materials Project. 2020.
"Materials Data on RbErSeCl2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1269655. https://www.osti.gov/servlets/purl/1269655. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269655,
title = {Materials Data on RbErSeCl2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbErSeO3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to one O2- and five Cl1- atoms. The Rb–O bond length is 3.03 Å. There are a spread of Rb–Cl bond distances ranging from 3.33–3.50 Å. Er3+ is bonded to five O2- and two Cl1- atoms to form edge-sharing ErCl2O5 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.41 Å. There are one shorter (2.63 Å) and one longer (2.65 Å) Er–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+, one Er3+, and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Se4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Er3+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one Er3+ atom.},
doi = {10.17188/1269655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}