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Title: Materials Data on Pb13(N2O13)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1312334· OSTI ID:1312334

Pb13O14(NO3)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four nitric acid molecules and one Pb13O14 cluster. In the Pb13O14 cluster, there are seven inequivalent Pb+2.46+ sites. In the first Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.40 Å. In the second Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.40 Å. In the third Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.40 Å. In the fourth Pb+2.46+ site, Pb+2.46+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–2.47 Å. In the fifth Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.30 Å. In the sixth Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.30 Å. In the seventh Pb+2.46+ site, Pb+2.46+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.18–2.30 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Pb+2.46+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Pb+2.46+ atoms. In the third O2- site, O2- is bonded to four Pb+2.46+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pb+2.46+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb+2.46+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Pb+2.46+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Pb+2.46+ atoms.

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:
1312334
Report Number(s):
mp-868032
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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