Materials Data on K2RbMn2F7 by Materials Project
RbK2Mn2F7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with four equivalent RbF12 cuboctahedra, faces with four equivalent RbF12 cuboctahedra, and faces with eight equivalent MnF6 octahedra. There are four shorter (3.03 Å) and eight longer (3.05 Å) Rb–F bond lengths. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.61–3.04 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with five equivalent MnF6 octahedra and faces with four equivalent RbF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–F bond distances ranging from 2.12–2.18 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Rb1+, two equivalent K1+, and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to five equivalent K1+ and one Mn2+ atom to form a mixture of distorted corner and edge-sharing FK5Mn octahedra. The corner-sharing octahedral tilt angles are 8°. In the third F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mn2+ 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:
- 1270229
- Report Number(s):
- mp-558227
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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