Materials Data on Cs2Pd(ICl2)2 by Materials Project
Cs2Pd(ICl2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to four equivalent I1- and eight equivalent Cl1- atoms. All Cs–I bond lengths are 4.28 Å. All Cs–Cl bond lengths are 3.78 Å. Pd4+ is bonded in a distorted octahedral geometry to two equivalent I1- and four equivalent Cl1- atoms. Both Pd–I bond lengths are 3.10 Å. All Pd–Cl bond lengths are 2.33 Å. I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+, one Pd4+, one I1-, and eight equivalent Cl1- atoms. The I–I bond length is 2.85 Å. There are four shorter (3.87 Å) and four longer (3.88 Å) I–Cl bond lengths. Cl1- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one Pd4+, and four equivalent I1- atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1277551
- Report Number(s):
- mp-607298
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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