Materials Data on NaBi3(IO2)2 by Materials Project
NaBi3(O2I)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Na–O bond lengths are 2.42 Å. There are two shorter (3.57 Å) and two longer (3.62 Å) Na–I bond lengths. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.26 Å. There are two shorter (3.62 Å) and two longer (3.66 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.29 Å. There are two shorter (3.63 Å) and two longer (3.67 Å) Bi–I bond lengths. In the third Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four I1- atoms. All Bi–O bond lengths are 2.29 Å. There are two shorter (3.62 Å) and two longer (3.66 Å) Bi–I bond lengths. O2- is bonded to one Na1+ and three Bi3+ atoms to form a mixture of edge and corner-sharing ONaBi3 tetrahedra. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted body-centered cubic geometry to two equivalent Na1+ and six Bi3+ atoms. In the second I1- site, I1- is bonded in a distorted body-centered cubic geometry to two equivalent Na1+ and six Bi3+ atoms.
- 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:
- 1743884
- Report Number(s):
- mp-1220823
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on LiBi3(IO2)2 by Materials Project
Materials Data on LiBi3(IO2)2 by Materials Project
Materials Data on Bi4I2O5 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1728182
Materials Data on LiBi3(IO2)2 by Materials Project
Dataset
·
Sat May 09 00:00:00 EDT 2020
·
OSTI ID:1303128
Materials Data on Bi4I2O5 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1204552