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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Role of copper in nitrous oxide accumulation in wetland soils from Illinois and South Carolina and stream sediments from Tennessee

Denitrification is microbially-mediated through enzymes containing metal cofactors. Laboratory studies of pure cultures have highlighted that the availability of copper (Cu), required for the multicopper enzyme nitrous oxide reductase, can limit nitrous oxide (N2O) reduction. However, in natural aquatic systems, such as wetlands and hyporheic zones in stream beds, the role of Cu in controlling denitrification remains incompletely understood. In this study, we collected soils and sediments from three natural environments -- riparian wetlands, marsh wetlands, and a stream -- to investigate their nitrogen species transformation activity at background Cu levels and different supplemented Cu loadings. All of the systems contained solid-phase associated Cu below or around geological levels (40–280 nmol g-1) and exhibited low dissolved Cu (3–50 nM), which made them appropriate sites for evaluating the effect of limited Cu availability on denitrification.The dataset contains the variation in the nutrient (nitrate (NO3-), nitrite (NO2-), and ammonium (NH4+)) and N2O concentrations during the incubation experiments to evaluate the effect of Cu. We have also reported the variation in metal concentrations (Cu, iron(Fe) and manganese (Mn)) and dissolved organic carbon (DOC) concentrations during the incubations. The parameters obtained using a kinetic model to quantitatively report the effect of Cu on nitrogen species conversion in natural aquatic systems are also added in the dataset. The dataset also contains the labile concentration of Cu estimated using a speciation model in MINTEQ. All data are provided in text-based CSV format with header sections indicating the data contained in each file and the corresponding units.Our study suggests that high concentrations of N2O accumulated in all microcosms lacking Cu amendment except for one stream sediment sample. With Cu added to provide dissolved concentrations at trace levels (10–300 nM), the reduction rate of N2O to N2 in the wetland soils and stream sediments was enhanced. A kinetic model could account for the trends in nitrogen species by combining the reactions for microbial reduction of NO3- to NO2-/N2O/N2 and abiotic reduction of NO2 to nitrogen (N2_. The model revealed that the rate of N2O to N2 conversion increased significantly in the presence of Cu. For riparian wetland soils and stream sediments, the kinetic model also suggested that overall denitrification is driven by abiotic reduction of NO2- in the presence of inorganic electron donors. This study demonstrated that natural aquatic systems containing Cu at concentrations less than or equal to crustal abundances may display incomplete reduction of N2O to N2 that would cause N2O accumulation and release to the atmosphere.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Materials Data on AlH15(NF)6 by Materials Project

AlNH3F6(NH2)3(NH3)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of twelve ammonia molecules, eight ammonia molecules, and four AlNH3F6 clusters. In each AlNH3F6 cluster, Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.81–1.87 Å. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.04 Å) and two longer (1.05 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- and one F1- atom. The H–F bond length is 1.63 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Al3+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnH8(N2Cl)2 by Materials Project

ZnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two ZnH8(N2Cl)2 clusters. Zn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Zn–N bond lengths are 2.20 Å. Both Zn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InH5NOF4 by Materials Project

InNH5OF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. In3+ is bonded to one O2- and six F1- atoms to form edge-sharing InOF6 pentagonal bipyramids. The In–O bond length is 2.18 Å. There are a spread of In–F bond distances ranging from 2.12–2.24 Å. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There is one shorter (1.05 Å) and two longer (1.06 Å) N–H bond length. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.01 Å. The H–F bond length is 1.57 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.63 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one N2- and one F1- atom. The H–F bond length is 1.62 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- and one F1- atom. The H–F bond length is 1.64 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. O2- is bonded in a distorted water-like geometry to one In3+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one In3+ and two H1+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent In3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one In3+ and two H1+ atoms. In the fourth F1- site, F1- is bonded in a water-like geometry to two equivalent In3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnH8(N2Cl)2 by Materials Project

MnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two MnH8(N2Cl)2 clusters. Mn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Mn–N bond lengths are 2.30 Å. Both Mn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Mn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Mn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H6CN2O3 by Materials Project

CH6N2O3 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four 927397-39-5 molecules. C4+ is bonded in a trigonal planar geometry to two equivalent N2- and one O2- atom. Both C–N bond lengths are 1.34 Å. The C–O bond length is 1.28 Å. N2- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to one C4+ and two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PH5NO4 by Materials Project

NH4HPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.59 Å. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.05–1.07 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- and one O2- atom. The H–O bond length is 1.74 Å. In the fourth H1+ site, H1+ is bonded in a distorted bent 150 degrees geometry to one N2- and one O2- atom. The H–O bond length is 1.61 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted tetrahedral geometry to one P5+ and three H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PH5N2O3 by Materials Project

NH2(NH)2P2NH6O6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules, two ammonia molecules, and one P2NH6O6 cluster. In the P2NH6O6 cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.63 Å. In the second P5+ site, P5+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.64 Å) and two longer (1.65 Å) P–O bond length. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.04–1.08 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.02 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to one N2- and one O2- atom. The H–O bond length is 1.59 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to one N2- and one O2- atom. The H–O bond length is 1.64 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one P5+ and one H1+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AuI3N by Materials Project

AuNI3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au5+ sites. In the first Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.64 Å) and two longer (2.77 Å) Au–I bond lengths. In the second Au5+ site, Au5+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.63 Å) and two longer (2.78 Å) Au–I bond lengths. N2- is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of N–I bond distances ranging from 3.59–3.79 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two Au5+ and one N2- atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to one Au5+ and three equivalent N2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiH6(NF3)2 by Materials Project

SiH6(NF3)2 is Copper structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four SiH6(NF3)2 clusters. Si4+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.70 Å) and four longer (1.73 Å) Si–F bond length. N2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. There are a spread of N–H bond distances ranging from 1.04–1.06 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- and one F1- atom. The H–F bond length is 1.63 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Si4+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As4N2Cl2O7 by Materials Project

N2As4O7Cl2 crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of two hydrochloric acid molecules; one As4O7 sheet oriented in the (0, 0, 1) direction; and one N2 sheet oriented in the (0, 0, 1) direction. In the As4O7 sheet, As5+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All As–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ and two equivalent O2- atoms. Both O–O bond lengths are 3.12 Å. In the second O2- site, O2- is bonded to twelve equivalent O2- atoms to form edge-sharing OO12 cuboctahedra. In the N2 sheet, N2- is bonded in a distorted trigonal planar geometry to three equivalent N2- atoms. All N–N bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li6FeN4 by Materials Project

Li6FeN4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N2- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent FeN4 tetrahedra, corners with eight equivalent LiN4 tetrahedra, and edges with six LiN4 tetrahedra. There are two shorter (1.99 Å) and two longer (2.25 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent N2- atoms to form distorted LiN4 tetrahedra that share corners with two equivalent FeN4 tetrahedra, corners with twelve LiN4 tetrahedra, an edgeedge with one FeN4 tetrahedra, and edges with four LiN4 tetrahedra. All Li–N bond lengths are 2.08 Å. Fe2+ is bonded to four equivalent N2- atoms to form FeN4 tetrahedra that share corners with sixteen LiN4 tetrahedra and edges with four equivalent LiN4 tetrahedra. All Fe–N bond lengths are 1.77 Å. N2- is bonded in a 7-coordinate geometry to six Li1+ and one Fe2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2N3O8 by Materials Project

(N2)2(PO3N)2(PO2)2(O2)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 6303-21-5 molecules, eight ammonia molecules, four trioxidane molecules, and four PO3N clusters. In each PO3N cluster, P5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. N2+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.11 Å) and one longer (2.12 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one P5+ and one N2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KHCS2N by Materials Project

KCNHS2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.21–3.64 Å. C4+ is bonded in a distorted trigonal planar geometry to one N2- and two S2- atoms. The C–N bond length is 1.36 Å. There is one shorter (1.69 Å) and one longer (1.73 Å) C–S bond length. N2- is bonded in a 3-coordinate geometry to one C4+, one N2-, and one H1+ atom. The N–N bond length is 1.38 Å. The N–H bond length is 1.03 Å. H1+ is bonded in a single-bond geometry to one N2- atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+ and one C4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent K1+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbC3S2N(O2F)2 by Materials Project

(C)3PbNS2(O2F)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of six methane molecules and two PbNS2(O2F)2 ribbons oriented in the (1, 0, 0) direction. In each PbNS2(O2F)2 ribbon, Pb4+ is bonded in a linear geometry to one N2- and one O2- atom. The Pb–N bond length is 2.57 Å. The Pb–O bond length is 2.67 Å. N2- is bonded in a distorted bent 120 degrees geometry to one Pb4+ and two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.43 Å. The S–F bond length is 1.60 Å. In the second S2- site, S2- is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.43 Å) and one longer (1.45 Å) S–O bond length. The S–F bond length is 1.60 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PH4BrN4 by Materials Project

(H2)2PN4Br crystallizes in the tetragonal P4/nbm space group. The structure is one-dimensional and consists of eight hydrogen molecules and four PN4Br ribbons oriented in the (0, 0, 1) direction. In each PN4Br ribbon, P5+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N2- atoms. All P–N bond lengths are 1.67 Å. N2- is bonded in a 1-coordinate geometry to one P5+, one N2-, and one Br1- atom. The N–N bond length is 1.46 Å. The N–Br bond length is 3.30 Å. Br1- is bonded in a 4-coordinate geometry to four equivalent N2- atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1972

A global empirical model of thermospheric composition based on OGO-6 mass spectrometer measurements.

A global empirical model for magnetically quiet conditions has been developed to describe longitudinally averaged OGO-6 N2, O, and He densities (in the altitude range 400 to 600 km) by means of an expansion into spherical harmonics. The annual asymmetric component in N2 density corresponds to an increase of about 400 K between winter and summer poles, which is about a factor of three greater than in the Jacchia model. However, the corresponding oxygen component at satellite altitudes reflects an increase between winter and summer comparable to that in the Jacchia model; this implies that at 120 km atomic oxygen increases by more than a factor of two between summer and winter poles. The amplitude of the symmetric semiannual component in N2 is larger at the poles than the equator. At the poles, the N2 variation corresponds to a temperature decrease of about 70 K from mid-April to mid-July. At low latitudes, the daily temperature maximum occurs close to 16 hours local time, nearly in agreement with radar backscatter observations.

Hedin, A. E.↗
NASA NTRS1972

Molecular ions in the F2 layer.

Data on ion concentrations at heights of 400-500 km, obtained by the OGO VI satellite, suggest that the O(+) and molecular ion concentrations are sometimes anticorrelated. To assist in explaining this phenomenon, a table of the chemical reactions most likely to control the molecular ion concentrations is drawn up, and its validity tested with the aid of data from rocket-borne mass spectrometers at heights of 220-400 km. The anticorrelation of O(+) and NO(+) ions by day is thought to be due to the importance of a reaction between N2(+) ions and O atoms; the main source of N2(+) above 300 km is probably charge-exchange between N2 and O(+), the latter being produced by photoionization. However, at night another source of NO(+) ions is required, which may be N(+) ions that are either stored in the magnetosphere or are produced from He(+) and N2.

Rishbeth, H.↗