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Materials Data on Na2Zn2(TeO3)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281783· OSTI ID:1281783
Na2Zn2(TeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Na2Zn2(TeO3)3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.32 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.90 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Te4+ 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:
1281783
Report Number(s):
mp-672223
Country of Publication:
United States
Language:
English

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