U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy5P12Ir19 by Materials Project
Abstract
Dy5Ir19P12 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to nine Ir and six equivalent P atoms. There are six shorter (3.11 Å) and three longer (3.21 Å) Dy–Ir bond lengths. All Dy–P bond lengths are 2.98 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to ten Ir and six P atoms. There are a spread of Dy–Ir bond distances ranging from 3.08–3.41 Å. There are a spread of Dy–P bond distances ranging from 2.96–3.05 Å. There are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent P atoms. All Ir–P bond lengths are 2.26 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three Dy, five Ir, and four P atoms. There are a spread of Ir–Ir bond distances ranging from 2.83–2.93 Å. There are a spread of Ir–P bond distances ranging from 2.27–2.62 Å. In the third Ir site, Ir is bonded in a distorted single-bond geometry to eight Ir and five Pmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225469
- 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; Dy5P12Ir19; Dy-Ir-P
- OSTI Identifier:
- 1711082
- DOI:
- https://doi.org/10.17188/1711082
Citation Formats
The Materials Project. Materials Data on Dy5P12Ir19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711082.
The Materials Project. Materials Data on Dy5P12Ir19 by Materials Project. United States. doi:https://doi.org/10.17188/1711082
The Materials Project. 2020.
"Materials Data on Dy5P12Ir19 by Materials Project". United States. doi:https://doi.org/10.17188/1711082. https://www.osti.gov/servlets/purl/1711082. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1711082,
title = {Materials Data on Dy5P12Ir19 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy5Ir19P12 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to nine Ir and six equivalent P atoms. There are six shorter (3.11 Å) and three longer (3.21 Å) Dy–Ir bond lengths. All Dy–P bond lengths are 2.98 Å. In the second Dy site, Dy is bonded in a 2-coordinate geometry to ten Ir and six P atoms. There are a spread of Dy–Ir bond distances ranging from 3.08–3.41 Å. There are a spread of Dy–P bond distances ranging from 2.96–3.05 Å. There are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Dy and three equivalent P atoms. All Ir–P bond lengths are 2.26 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to three Dy, five Ir, and four P atoms. There are a spread of Ir–Ir bond distances ranging from 2.83–2.93 Å. There are a spread of Ir–P bond distances ranging from 2.27–2.62 Å. In the third Ir site, Ir is bonded in a distorted single-bond geometry to eight Ir and five P atoms. There are one shorter (3.01 Å) and three longer (3.02 Å) Ir–Ir bond lengths. There are a spread of Ir–P bond distances ranging from 2.28–2.87 Å. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent Dy, six Ir, and four P atoms. There are two shorter (2.81 Å) and two longer (2.82 Å) Ir–Ir bond lengths. There are two shorter (2.37 Å) and two longer (2.41 Å) Ir–P bond lengths. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to three Dy, five Ir, and four P atoms. There are a spread of Ir–P bond distances ranging from 2.37–2.45 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Dy and seven Ir atoms. In the third P site, P is bonded in a 9-coordinate geometry to four equivalent Dy and five Ir atoms.},
doi = {10.17188/1711082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}