Materials Data on Cs2FeCl5O by Materials Project
Cs2FeOCl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 11-coordinate geometry to two equivalent O and nine Cl atoms. Both Cs–O bond lengths are 3.68 Å. There are eight shorter (3.62 Å) and one longer (3.95 Å) Cs–Cl bond lengths. In the second Cs site, Cs is bonded in a distorted q6 geometry to ten Cl atoms. There are a spread of Cs–Cl bond distances ranging from 3.60–3.83 Å. Fe is bonded in an octahedral geometry to one O and five Cl atoms. The Fe–O bond length is 1.79 Å. There are one shorter (2.29 Å) and four longer (2.40 Å) Fe–Cl bond lengths. O is bonded in a single-bond geometry to two equivalent Cs and one Fe atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Cs and one Fe atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four Cs and one Fe atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1750105
- Report Number(s):
- mp-1188475
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Cs2IrCl5O by Materials Project
Materials Data on Cs3Re6Se8(Cl3O)2 by Materials Project
Materials Data on Cs3ClO by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1753070
Materials Data on Cs3Re6Se8(Cl3O)2 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1697308
Materials Data on Cs3ClO by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1272342