Materials Data on BeP2(HO)4 by Materials Project
BeP2(HO)4 crystallizes in the tetragonal P4_12_12 space group. The structure is two-dimensional and consists of four BeP2(HO)4 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with four equivalent PH2O2 tetrahedra. There is two shorter (1.63 Å) and two longer (1.64 Å) Be–O bond length. P1+ is bonded to two H1+ and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent BeO4 tetrahedra. Both P–H bond lengths are 1.41 Å. There is one shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Be2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Be2+ 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:
- 1284890
- Report Number(s):
- mp-695815
- Country of Publication:
- United States
- Language:
- English
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