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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al(NCl)3 by Materials Project

Al(N2Cl)2Al(NCl2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Al(N2Cl)2 ribbon oriented in the (1, 0, 0) direction and one Al(NCl2)2 ribbon oriented in the (1, 0, 0) direction. In the Al(N2Cl)2 ribbon, Al3+ is bonded in a distorted octahedral geometry to four N and two equivalent Cl1- atoms. There is two shorter (1.90 Å) and two longer (1.95 Å) Al–N bond length. Both Al–Cl bond lengths are 2.75 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted bent 120 degrees geometry to one Al3+ and one Cl1- atom. The N–Cl bond length is 1.60 Å. In the second N site, N is bonded in a single-bond geometry to one Al3+ atom. Cl1- is bonded in a distorted water-like geometry to one Al3+ and one N atom. In the Al(NCl2)2 ribbon, Al3+ is bonded in a distorted octahedral geometry to two equivalent N and four Cl1- atoms. Both Al–N bond lengths are 1.93 Å. There are two shorter (2.20 Å) and two longer (2.75 Å) Al–Cl bond lengths. N is bonded in a 2-coordinate geometry to one Al3+ and one Cl1- atom. The N–Cl bond length is 1.61 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Al3+ and one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data and Scripts associated with a manuscript on ecosystem responses to wildfires in the Columbia River Basin

This data package is associated with the publication “Ecosystem leaf area, gross primary production, and evapotranspiration responses to wildfire in the Columbia River Basin” submitted to Biogeosciences (Shi et al., 2024; doi: 10.22541/au.171053013.30286044/v1). In this research, data products, leaf area index (LAI), gross primary production (GPP), and evapotranspiration (ET), from the Moderate Resolution Imaging Spectroradiometer (MODIS) are used to quantify the resistance and resilience of different ecosystem types in the Columbia River Basin (CRB). A machine learning algorithm, random forest (RF), was used to examine the impacts of precipitation, vapor pressure deficit (VPD), and burn severity from Monitoring Trends in Burn Severity (MTBS) on ecosystem resilience. The data package includes the processed MODIS data products, precipitation, VPD, and burn severity in 138 fire regions in CRB and the input files for RF model training. This data package includes six folders. The MODIS products are included in three MODIS_* folders with shell scripts for data clipping and *ncl files for data processing: (1) “/MODIS_LAI_CRB”; (2) “/MODIS_GPP_CRB”; and (3) “/MODIS_ET_CRB”. All the processed data for each fire event are NetCDF formatted. The MTBS burn severity data and the shell and *ncl scripts used for data processing are in the folder named (4) “MTBS_fire”. The ERA meteorological fields and the data processing scritps are in (5) “ERA_Var_CR”. All the scripts for figure development are in the format of *ncl and in the folder (6) “paper_scripts”. See the file ending in “flmd.csv” for a list of all files contained in this data package and descriptions for each. Tabular column headers and units are described in the data dictionary file ending in “dd.csv”.

54 ENVIRONMENTAL SCIENCES↗