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Title: Materials Data on TeH21C7(NCl2)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1268345· OSTI ID:1268345

CH2CH2CH2NHCH2CH2NH2(CH3)2NH2TeCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 51-80-9 molecules, four dimethylazanium molecules, and four TeCl6 clusters. In each TeCl6 cluster, Te2- is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Te–Cl bond distances ranging from 2.53–2.66 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Te2- atom.

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:
1268345
Report Number(s):
mp-600198
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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