Materials Data on H2O by Materials Project
H2O crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of four hydrogen molecules and two H7O4 sheets oriented in the (0, 1, 0) direction. In each H7O4 sheet, there are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to one H1+ and two equivalent O2- atoms. The H–H bond length is 1.27 Å. Both H–O bond lengths are 1.23 Å. In the second H1+ site, H1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. In the third H1+ site, H1+ is bonded in a 2-coordinate geometry to two equivalent H1+ and four equivalent O2- atoms. All H–O bond lengths are 1.62 Å. In the fourth H1+ site, H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. O2- is bonded in a distorted T-shaped geometry to four H1+ 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:
- 1316963
- Report Number(s):
- mp-990441
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Zn3P6H30(N3O13)2 by Materials Project
Materials Data on NiH6(CO3)2 by Materials Project