Materials Data on Zn5(N2O7)2 by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1674909· OSTI ID:1674909

Zn5O8N2(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four ammonia molecules; four nitric acid molecules; and two Zn5O8 sheets oriented in the (1, 0, 0) direction. In each Zn5O8 sheet, there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form edge-sharing ZnO6 octahedra. There are two shorter (2.02 Å) and four longer (2.04 Å) Zn–O bond lengths. In the third Zn2+ site, Zn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.92 Å) and two longer (1.93 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Zn2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Zn2+ 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: 1674909
• Report Number(s): mp-1190627
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
N-O-Zn
Zn5(N2O7)2
crystal structure