Materials Data on BaP2(HO)4 by Materials Project
Ba(H2PO2)2 crystallizes in the orthorhombic Ccce space group. The structure is two-dimensional and consists of two Ba(H2PO2)2 sheets oriented in the (0, 1, 0) direction. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.82 Å) and four longer (2.83 Å) Ba–O bond lengths. P1+ is bonded in a distorted tetrahedral geometry to two equivalent H1+ and two equivalent O2- atoms. Both P–H bond lengths are 1.42 Å. Both P–O bond lengths are 1.53 Å. H1+ is bonded in a single-bond geometry to one P1+ atom. O2- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one P1+ atom.
- 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:
- 1280136
- Report Number(s):
- mp-642646
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on BaP2(HO)2 by Materials Project
Materials Data on ZnP2(HO)4 by Materials Project
Materials Data on CaP2(HO)4 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1662290
Materials Data on ZnP2(HO)4 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1285160
Materials Data on CaP2(HO)4 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1199928