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Title: Materials Data on H5PbCI3N2 by Materials Project

Abstract

HC(NH2)2PbI3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one iminomethanaminium molecule and one PbI3 framework. In the PbI3 framework, Pb2+ is bonded to six I1- atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Pb–I bond distances ranging from 3.16–3.26 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms.

Publication Date:
Other Number(s):
mp-977014
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; H5PbCI3N2; C-H-I-N-Pb
OSTI Identifier:
1315487
DOI:
10.17188/1315487

Citation Formats

The Materials Project. Materials Data on H5PbCI3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315487.
The Materials Project. Materials Data on H5PbCI3N2 by Materials Project. United States. doi:10.17188/1315487.
The Materials Project. 2020. "Materials Data on H5PbCI3N2 by Materials Project". United States. doi:10.17188/1315487. https://www.osti.gov/servlets/purl/1315487. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1315487,
title = {Materials Data on H5PbCI3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {HC(NH2)2PbI3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one iminomethanaminium molecule and one PbI3 framework. In the PbI3 framework, Pb2+ is bonded to six I1- atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Pb–I bond distances ranging from 3.16–3.26 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the second I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to two equivalent Pb2+ atoms.},
doi = {10.17188/1315487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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