Materials Data on Co2I7(N2O)3 by Materials Project
Co2I7(N2O)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Co2I7(N2O)3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded in a 6-coordinate geometry to three N1+ and three O2- atoms. There is one shorter (1.76 Å) and two longer (1.80 Å) Co–N bond length. There are one shorter (1.96 Å) and two longer (2.22 Å) Co–O bond lengths. In the second Co+3.50+ site, Co+3.50+ is bonded in a single-bond geometry to one O2- atom. The Co–O bond length is 1.74 Å. There are four inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one Co+3.50+ and one I1- atom. The N–I bond length is 1.98 Å. In the second N1+ site, N1+ is bonded in a 2-coordinate geometry to one Co+3.50+ and one I1- atom. The N–I bond length is 2.00 Å. In the third N1+ site, N1+ is bonded in a distorted L-shaped geometry to two I1- atoms. There are one shorter (2.11 Å) and one longer (2.14 Å) N–I bond lengths. In the fourth N1+ site, N1+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Co+3.50+ and two I1- atoms. There are one shorter (1.86 Å) and one longer (3.80 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Co+3.50+ atoms. There are seven inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to two equivalent N1+ and three I1- atoms. There are two shorter (3.28 Å) and one longer (3.62 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent O2- and four I1- atoms. There are one shorter (3.49 Å) and three longer (3.79 Å) I–I bond lengths. In the third I1- site, I1- is bonded in a 8-coordinate geometry to two equivalent O2- and six I1- atoms. Both I–I bond lengths are 3.88 Å. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent N1+ and one I1- atom. The I–I bond length is 3.37 Å. In the fifth I1- site, I1- is bonded in a 3-coordinate geometry to five I1- atoms. The I–I bond length is 4.02 Å. In the sixth I1- site, I1- is bonded in a 3-coordinate geometry to three N1+ atoms. In the seventh I1- site, I1- is bonded in a single-bond geometry to one N1+ and three I1- 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:
- 1685180
- Report Number(s):
- mp-1215105
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on CI(NO)3 by Materials Project
Materials Data on FeI(NO)2 by Materials Project
Materials Data on CdC2S2(IN2)2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1676285
Materials Data on FeI(NO)2 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1710127
Materials Data on CdC2S2(IN2)2 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1722625