Materials Data on KGdCO3F2 by Materials Project
KGd(CO3)F2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent F1- atoms. There are two shorter (2.84 Å) and two longer (2.94 Å) K–O bond lengths. There are two shorter (2.57 Å) and two longer (3.03 Å) K–F bond lengths. Gd3+ is bonded in a 8-coordinate geometry to four O2- and four equivalent F1- atoms. There are two shorter (2.40 Å) and two longer (2.49 Å) Gd–O bond lengths. There are two shorter (2.28 Å) and two longer (2.38 Å) Gd–F bond lengths. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.32 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Gd3+, and one C4+ atom. F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and two equivalent Gd3+ 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:
- 1267688
- Report Number(s):
- mp-554005
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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