Results for “Ba(InP)2” | Engineering Papers

DOE OSTI2020

Materials Data on Ba(InP)2 by Materials Project

BaIn2P2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six P3- atoms to form edge-sharing BaP6 octahedra. There are a spread of Ba–P bond distances ranging from 3.22–3.33 Å. In the second Ba2+ site, Ba2+ is bonded to six P3- atoms to form edge-sharing BaP6 octahedra. There are a spread of Ba–P bond distances ranging from 3.20–3.49 Å. There are four inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three equivalent P3- atoms. All In–P bond lengths are 2.67 Å. In the second In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are two shorter (2.65 Å) and one longer (2.68 Å) In–P bond lengths. In the third In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.64 Å) and two longer (2.69 Å) In–P bond lengths. In the fourth In2+ site, In2+ is bonded in a trigonal non-coplanar geometry to three P3- atoms. There are one shorter (2.67 Å) and two longer (2.68 Å) In–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded to three Ba2+ and three In2+ atoms to form a mixture of edge and corner-sharing PBa3In3 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. In the second P3- site, P3- is bonded to three Ba2+ and three equivalent In2+ atoms to form a mixture of edge and corner-sharing PBa3In3 octahedra. The corner-sharing octahedra tilt angles range from 20–73°. In the third P3- site, P3- is bonded to three equivalent Ba2+ and three In2+ atoms to form a mixture of edge and corner-sharing PBa3In3 octahedra. The corner-sharing octahedra tilt angles range from 7–73°. In the fourth P3- site, P3- is bonded to three equivalent Ba2+ and three In2+ atoms to form a mixture of edge and corner-sharing PBa3In3 octahedra. The corner-sharing octahedra tilt angles range from 12–66°.

36 MATERIALS SCIENCE↗

DOE OSTI2024

MOSAiC-Colorado State University Ice Spectrometer

This data set contains atmospheric ice nucleating particle (INP) measurements, using Colorado State University’s (CSU) Ice Spectrometer (IS), of filter collections taken at the U.S. DOE ARM AMF2 site onboard the R/V Polarstern P-deck during the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) field campaign. Samples were collected from October 27, 2019 to September 24, 2020. A filter sampler was mounted approximately 15 m above ground level on a railing in proximity to (and approximately 3 m below) the Aerosol Observation System (AOS) inlet. Single-use filter units open to the atmosphere were pre-cleaned and pre-loaded with 47-mm diameter Nuclepore polycarbonate (0.2 µm pore-diameter) filters. Filters were typically drawn for a three-day period, with an average volume of air filtered of 87,000 standard liters. Total volumes were calculated through recorded daily flow rates using a mass flow meter (TSI). After collection, filters were stored and transported frozen until analysis using CSU’s IS instrument (McCluskey et al., 2018). Aerosol particles were first re-suspended in 8 mL of 0.1 µm-filtered deionized (DI) water. Aliquots of each suspension, and corresponding 11-fold dilutions, were dispensed into polymerase chain reaction (PCR) trays and placed into the aluminum blocks of the IS. Samples were cooled at approximately 0.33 °C min -1 and freezing detected optically with corresponding temperatures recorded. Cumulative INP concentrations were determined through calculating the number of INPs per mL of suspension (Vali, 1971) and converting to concentration per standard L of air by accounting for the proportion of liquid used and volume of air collected. All samples were corrected for the number of INPs on the average of four field blanks (cleaned, handled, transported, and analyzed in the same way without air flow). Two-tailed, 95% confidence intervals for binomial sampling are provided (Agresti and Coull, 1998). Select samples were also heat treated (95 °C for 20 min) to denature and deactivate biological INPs present and digested in 10% H 2 O 2 at 95 °C under UV-B for 20 min to remove any organic carbon INPs. Agresti, A, and BA Coull. 1998. "Approximate is better than “exact” for interval estimation of binomial proportions." American Statistics 52: 119–126. https://doi.org/10.2307/2685469 McCluskey, CS, J Ovadnevaite, M Rinaldi, J Atkinson, F Belosi, D Ceburnis, … and PJ DeMott. 2018. "Marine and Terrestrial Organic Ice-Nucleating Particles in Pristine Marine to Continentally Influenced Northeast Atlantic Air Masses." Journal of Geophysical Research: Atmospheres 123 (11): 6196–6212, https://doi.org/10.1029/2017JD028033 Vali, G. 1971. "Quantitative Evaluation of Experimental Results and the Heterogeneous Freezing Nucleation of Supercooled Liquids." Journal of the Atmospheric Sciences 28: 402-209. https://doi.org/10.1175/1520-0469(1971)028<0402:QEOERA>2.0.CO;2

54 ENVIRONMENTAL SCIENCES↗