Materials Data on Fe2Te2Ru2(CO)11 by Materials Project
Abstract
(RuFeTe(CO)4)2(CO)3 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of twelve formaldehyde molecules and two RuFeTe(CO)4 sheets oriented in the (0, 0, 1) direction. In each RuFeTe(CO)4 sheet, Ru4+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.78 Å. Fe3+ is bonded in a 5-coordinate geometry to three C+1.09+ and two equivalent Te2- atoms. There is two shorter (1.78 Å) and one longer (1.80 Å) Fe–C bond length. Both Fe–Te bond lengths are 2.61 Å. There are four inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.09+ site, C+1.09+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.18 Å. In the fourth C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. Te2- ismore »
- Publication Date:
- Other Number(s):
- mp-651724
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Fe2Te2Ru2(CO)11; C-Fe-O-Ru-Te
- OSTI Identifier:
- 1281094
- DOI:
- 10.17188/1281094
Citation Formats
The Materials Project. Materials Data on Fe2Te2Ru2(CO)11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1281094.
The Materials Project. Materials Data on Fe2Te2Ru2(CO)11 by Materials Project. United States. doi:10.17188/1281094.
The Materials Project. 2020.
"Materials Data on Fe2Te2Ru2(CO)11 by Materials Project". United States. doi:10.17188/1281094. https://www.osti.gov/servlets/purl/1281094. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281094,
title = {Materials Data on Fe2Te2Ru2(CO)11 by Materials Project},
author = {The Materials Project},
abstractNote = {(RuFeTe(CO)4)2(CO)3 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of twelve formaldehyde molecules and two RuFeTe(CO)4 sheets oriented in the (0, 0, 1) direction. In each RuFeTe(CO)4 sheet, Ru4+ is bonded in a 4-coordinate geometry to two equivalent Te2- atoms. Both Ru–Te bond lengths are 2.78 Å. Fe3+ is bonded in a 5-coordinate geometry to three C+1.09+ and two equivalent Te2- atoms. There is two shorter (1.78 Å) and one longer (1.80 Å) Fe–C bond length. Both Fe–Te bond lengths are 2.61 Å. There are four inequivalent C+1.09+ sites. In the first C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.09+ site, C+1.09+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.09+ site, C+1.09+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.18 Å. In the fourth C+1.09+ site, C+1.09+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ru4+, two equivalent Fe3+, and two O2- atoms. There are one shorter (3.51 Å) and one longer (3.82 Å) Te–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ and one Te2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.09+ atom.},
doi = {10.17188/1281094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}