Materials Data on K2SnBr6 by Materials Project
K2SnBr6 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.50–3.74 Å. In the second K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.51–3.74 Å. In the third K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.49–3.74 Å. In the fourth K1+ site, K1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.50 Å) and four longer (3.74 Å) K–Br bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in an octahedral geometry to six Br1- atoms. There are four shorter (2.65 Å) and two longer (2.67 Å) Sn–Br bond lengths. In the second Sn4+ site, Sn4+ is bonded in an octahedral geometry to six Br1- atoms. There are four shorter (2.65 Å) and two longer (2.67 Å) Sn–Br bond lengths. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four K1+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing BrK4Sn square pyramids. In the second Br1- site, Br1- is bonded to four K1+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing BrK4Sn square pyramids. In the third Br1- site, Br1- is bonded to four K1+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing BrK4Sn square pyramids. In the fourth Br1- site, Br1- is bonded to four K1+ and one Sn4+ atom to form a mixture of distorted edge and corner-sharing BrK4Sn square pyramids. In the fifth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Sn4+ atom. In the sixth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Sn4+ atom. In the seventh Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Sn4+ atom. In the eighth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two K1+ and one Sn4+ atom.
- 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:
- 1286339
- Report Number(s):
- mp-707190
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K6Pd3(BrCl2)4 by Materials Project
Materials Data on K2Sm2As2Se9 by Materials Project