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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1976

Demonstration of Mg-26 excess in Allende and evidence for Al-26

The observation of a large anomaly in the isotopic composition of Mg in a Ca-Al rich chondrule from the Allende meteorite is discussed. A strong correlation is found in this chondrule between the Mg-26 excess and the Al/Mg ratio. The most plausible cause of the anomaly is attributed to the in situ decay of now extinct Al-26. However, the general pattern of Mg isotopic anomalies is not yet shown to be fully consistent with the Al-26 hypothesis, since an apparently negative Mg-26 anomaly is obtained which cannot be explained by Al-26. A large natural fractionation effect is observed for Mg isotopes. The resolution of the O anomaly and its relation with Mg effects require further investigation.

Lee, T.↗
NASA NTRS1991

On the utility of low resolution IUE spectroscopy of the 2800 A Mg II lines as a stellar chromosphere indicator

Low resolution IUE spectroscopy of the 2800-A Mg II h and k lines is shown to provide a useful means for documenting chromospheric activity among relatively young dwarf stars. An index I(Mg II) has been defined which measures the integrated flux in the region 2784-2814 A relative to the flux interpolated from nearby comparison regions. Values of this index have been derived from low resolution IUE spectra for a sample of field dwarfs for which Ca II H and K line indices have been published as part of the Mount Wilson HK program. The large range in chromospheric activity among field dwarfs that is exhibited by the Mount Wilson Ca II S index is found to also be reflected by the lower resolution I(Mg II) index. Using an age calibration of Ca II emission line strengths derived by Barry, it is found that the value of I(Mg II) can be used to distinguish between dwarfs younger and older than 3 Gyr. The low resolution nature of the I(Mg II) index means that it holds potential for use as an age diagnostic for stellar population studies. Among dwarfs of age greater than 3 Gyr there is some evidence that this Mg II index is affected by line blanketing.

Smith, Graeme H.↗
NASA NTRS1993

The Fe2(+)-Mg interdiffusion in orthopyroxene: Constraints from cation ordering and structural data and implications for cooling rates of meteorites

Orthopyroxene crystals in a number of meteorites exhibit compositional zoning of Fe and Mg, which provide important constraint on their cooling rates. However, attempts to model cooling rate of these crystals from Fe-Mg zoning profiles suffer from the lack of any measured or theoretically well constrained Fe-Mg interdiffusion data in OP(x) It has been assumed that Fe-Mg interdiffusion in OP(x) only slightly slower than that in olivine. The purpose of this paper is to (1) calculate the Fe-Mg fractionation, and (2) provide analytical formulation relating cooling rate to the length of the diffusion zone across the interface of the overgrowth of a mineral on itself with application to Mg diffusion profile across OP(x) growth on OP(x) in certain mesosiderites.

Ganguly, J.↗
NASA NTRS1994

Comparisons of the MG II index products from the NOAA-9 and NOAA-11 SBUV/2 instruments

The Mg II index is a proxy indicator of solar UV activity which is produced from measurements of the chromospheric Mg II absortion line at 280 nm. Mg II index data sets have been derived from the NOAA-9 and NOAA-11 SBUV/2 irradiance data sets using both discrete scan measurements about the Mg II line and continuous scan (sweep) measurements over the UV spectrum from 160 - 400 nm. This paper will discuss the rationale behind the creation of the different Mg II index products, and make a quantitative assessment of the differences between these products. Recommendations for future use of the Mg II index will also be presented.

Deland, M. T.↗
NASA NTRS1995

A DNA enzyme with Mg(2+)-Dependent RNA Phosphoesterase Activity

Previously we demonstrated that DNA can act as an enzyme in the Pb(2+)-dependent cleavage of an RNA phosphoester. This is a facile reaction, with an uncatalyzed rate for a typical RNA phosphoester of approx. 10(exp -4)/ min in the presence of 1 mM Pb(OAc)2 at pH 7.0 and 23 C. The Mg(2+) - dependent reaction is more difficult, with an uncatalyzed rate of approx. 10(exp -7)/ min under comparable conditions. Mg(2+) - dependent cleavage has special relevance to biology because it is compatible with intracellular conditions. Using in vitro selection, we sought to develop a family of phosphoester-cleaving DNA enzymes that operate in the presence of various divalent metals, focusing particularly on the Mg(2+) - dependent reaction. Results: We generated a population of greater than 10(exp 13) DNAs containing 40 random nucleotides and carried out repeated rounds of selective amplification, enriching for molecules that cleave a target RNA phosphoester in the presence of 1 mM Mg(2+), Mn(2+), Zn(2+) or Pb(2+). Examination of individual clones from the Mg(2+) lineage after the sixth round revealed a catalytic motif comprised of a three-stem junction.This motif was partially randomized and subjected to seven additional rounds of selective amplification, yielding catalysts with a rate of 0.01/ min. The optimized DNA catalyst was divided into separate substrate and enzyme domains and shown to have a similar level of activity under multiple turnover conditions. Conclusions: We have generated a Mg(2+) - dependent DNA enzyme that cleaves a target RNA phosphoester with a catalytic rate approx. 10(exp 5) - fold greater than that of the uncatalyzed reaction. This activity is compatible with intracellular conditions, raising the possibility that DNA enzymes might be made to operate in vivo.

Breaker, Ronald R.↗
DOE OSTI2020

Improving Interface Stability of Si Anodes by Mg Coating in Li-Ion Batteries

Silicon (Si) is a promising anode material for high-energy-density lithium-ion batteries (LIBs), but its short calendar life and poor cycling performance prevent its large-scale adoption. Introducing magnesium (Mg) salt into the electrolyte has been recently shown to form a ternary Li–Mg–Si Zintl phase upon lithiation of Si and improve the cycling performance. However, the ternary Zintl phase formation mechanism and its impact on the solid electrolyte interphase (SEI) are not yet well understood. In this work, we demonstrate the formation of a ternary Li–Mg–Si Zintl phase by Mg coating of the Si anode, where Mg diffuses into the Si film upon deposition and intermixes further during the lithiation process. The presence of the Zintl phase improves the interface stability, alters the nature of the SEI, and enhances the cycling performance of the Si anode. This study provides insights into the formation mechanism of the ternary Zintl phase and guidelines for the future design of Si anodes.

25 ENERGY STORAGE↗
DOE OSTI2024

Quantifying the Correlation between Coordination Chemistry, Interfacial Formation, and Electrochemical Performances for Mg Battery Electrolytes

Here, the rise of magnesium batteries as promising post-Li-ion energy storage technologies has sparked considerable attention toward understanding the fundamental aspects of coordination chemistry concerning Mg cations in multivalent electrolytes. This exploration includes investigating how coordination influences crucial electrolyte properties like solubility, electroreduction stability, and the formation of the interphase, all of which are pivotal for practical battery applications. Despite recent progress in developing a few functional electrolytes, a comprehensive understanding of the solvation structure that can facilitate efficient Mg deposition performance and the formulation of general design rules based on the solvation structure is still lacking. In our study, we endeavor to establish a connection between solvent and anion interactions with Mg 2+ , interface formation, and cycling performance through a series of organic ether solvents (tetrahydrofuran, glyme, diglyme, and triglyme) and amine solvents (dimethylamine, 3-methoxypropylamine, and dimethoxyethylamine). Our findings reveal a distinct coordination trend for solvent/Mg 2+ and (Mg-TFSI):solvent across various solvents, which dictates the extent of ion pairing for TFSI salts with increasing solvent molecule size and denticity. The solvated species in the bulk electrolyte across different solvents lead to diverse interfacial chemistries with varying decomposition components. We also explore the cycling efficiency as well as Mg deposition overpotentials for different solvents. A correlation analysis was conducted to assess the interplay between the structure and performance. Lastly, we apply the insights gained from these results to tailor the relative anion/Mg 2+ coordination structures using cosolvent systems, aiming for improved cell performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Materials Data on Mg(NO3)2 by Materials Project

Mg(NO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.16 Å. In the second Mg2+ site, Mg2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mg–O bond lengths are 2.10 Å. In the third Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.10–2.15 Å. In the fourth Mg2+ site, Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.15 Å) Mg–O bond lengths. There are six inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.26 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.26 Å. In the fifth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.26 Å. In the sixth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(NO6)2 by Materials Project

MgO6(NO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitric acid molecules and two MgO6 clusters. In each MgO6 cluster, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 1.93–2.60 Å. There are three inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Mg and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a single-bond geometry to one Mg atom. In the third O site, O is bonded in a 1-coordinate geometry to one Mg and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(MnGe)6 by Materials Project

Mg(MnGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to eight Ge atoms to form distorted edge-sharing MgGe8 hexagonal bipyramids. There are two shorter (2.68 Å) and six longer (2.98 Å) Mg–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.67 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg(BH3)2 by Materials Project

Mg(BH3)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 5-coordinate geometry to seven H+0.67+ atoms. There are a spread of Mg–H bond distances ranging from 2.00–2.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six H+0.67+ atoms. There are a spread of Mg–H bond distances ranging from 1.95–2.17 Å. In the third Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six H+0.67+ atoms. There are a spread of Mg–H bond distances ranging from 1.98–2.04 Å. In the fourth Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six H+0.67+ atoms. There are a spread of Mg–H bond distances ranging from 2.00–2.08 Å. There are eight inequivalent B3- sites. In the first B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.22–1.25 Å. In the second B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There is one shorter (1.23 Å) and two longer (1.24 Å) B–H bond length. In the third B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.22–1.25 Å. In the fourth B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.23–1.25 Å. In the fifth B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.23–1.25 Å. In the sixth B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.22–1.25 Å. In the seventh B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. All B–H bond lengths are 1.24 Å. In the eighth B3- site, B3- is bonded in a distorted trigonal non-coplanar geometry to three H+0.67+ atoms. There are a spread of B–H bond distances ranging from 1.22–1.25 Å. There are twenty-four inequivalent H+0.67+ sites. In the first H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the second H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the third H+0.67+ site, H+0.67+ is bonded in a distorted L-shaped geometry to one Mg2+ and one B3- atom. In the fourth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the fifth H+0.67+ site, H+0.67+ is bonded in a 2-coordinate geometry to two Mg2+ and one B3- atom. In the sixth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the seventh H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the eighth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the ninth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the tenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the eleventh H+0.67+ site, H+0.67+ is bonded in a distorted L-shaped geometry to one Mg2+ and one B3- atom. In the twelfth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the thirteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the fourteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the fifteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the sixteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the seventeenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the eighteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the nineteenth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the twentieth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the twenty-first H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the twenty-second H+0.67+ site, H+0.67+ is bonded in a distorted single-bond geometry to one Mg2+ and one B3- atom. In the twenty-third H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom. In the twenty-fourth H+0.67+ site, H+0.67+ is bonded in an L-shaped geometry to one Mg2+ and one B3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Solvation Structure and Dynamics of Mg(TFSI) 2 Aqueous Electrolyte

Using ab initio molecular dynamics (AIMD) simulations, classical molecular dynamics (CMD) simulations, small-angle X-ray scattering (SAXS), and pulsed-field gradient nuclear magnetic resonance (PFG-NMR), the solvation structure and ion dynamics of magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI) 2 ) aqueous electrolyte at 1, 2, and 3 m concentrations are investigated. From AIMD and CMD simulations, the first solvation shell of an Mg 2+ ion is found to be composed of six water molecules in an octahedral configuration and the solvation shell is rather rigid. The TFSI - ions prefer to stay in the second solvation shell and beyond. Meanwhile, the comparable diffusion coefficients of positive and negative ions in Mg(TFSI) 2 aqueous electrolytes have been observed, which is mainly due to the formation of the stable [Mg(H 2 O) 6 ] 2+ complex, and, as a result, the increased effective Mg ion size. Finally, the calculated correlated transference numbers are lower than the uncorrelated ones even at the low concentration of 2 and 3 m, suggesting the enhanced correlations between ions in the multivalent electrolytes. This work provides a molecular-level understanding of how the solvation structure and multivalency of the ion affect the dynamics and transport properties of the multivalent electrolyte, providing insight for rational designs of electrolytes for improved ion transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures

Understanding solute segregation thermodynamics is the first step in investigating grain boundary (GB) properties, such as strong yttrium (Y) effects on grain growth and texture evolution in micro-scale polycrystalline magnesium (Mg) alloys. To estimate the average GB segregation behavior in low-solute-concentration Mg alloys (e.g., 2 at.% Y), a state-of-the-art spectral approach is applied based on a per-site segregation energy spectrum for Y solute atoms at zero K obtained from molecular statistics (MS) simulations of ~10 4 GB sites in Mg symmetric tilt GBs (STGBs). Although selected MS simulation results are consistent with verification by density functional theory (DFT) calculations, estimates of average segregation tendency based on the zero-K energy spectrum deviate from experimental observations. To resolve this problem, thermodynamic integration (TI) methods based on molecular dynamics (MD) simulations are used to determine the per-site segregation free energies of Y at representative GB sites, which show contributions beyond harmonic approximations can be important for certain GB sites at high temperatures. A surrogate model of per-site segregation free energy is constructed from a small set of TI data points using stacking cross-validation regressors and physics-informed descriptors. This model is applied to predict the Y segregation free energy spectra for thousands of GB sites in Mg STGBs with uncertainty quantification. Finally, the average segregation tendency predicted by the spectral approach based on the free energy spectra agrees well (within the uncertainty range) with experimental observations for micro-scale polycrystalline Mg alloys at typical thermomechanical processing temperatures (500 ~ 800 K), where thermodynamic equilibrium states are likely to be achieved due to fast diffusion.

Atomistic simulations↗
DOE OSTI2021

Origins of high ductility exhibited by an extruded magnesium alloy Mg-1.8Zn-0.2Ca: Experiments and crystal plasticity modeling

Low ductility and strength are major bottlenecks against Mg alloys' wide applications. In this work, we systematically design the composition and fabrication process for a low-alloyed Mg-Zn-Ca alloy, showing that it can be extruded at low temperatures (~ 250 degrees C) and high speeds (~2 mm/s). After the extrusion, this alloy exhibits a substantially weakened basal texture, relatively small grain size, very high tensile elongation (~ 30%), and good strength. The origin of the considerably improved ductility was studied using a combination of three-dimensional atom probe tomography (3D-APT), transmission electron microscopy (TEM), electron backscattered diffraction (EBSD) in conjunction with surface slip trace analysis, in-situ synchrotron X-ray diffraction, and elasto-plastic self-consistent (EPSC) modeling. Co-segregation of Zn and Ca atoms at a grain boundary is observed and associated with texture weakening and grain boundary mediated plasticity, both improving the ductility. While basal slip and prismatic slip are identified as the dominant deformation systems in the alloy, the ratio between their slip resistances is substantially reduced relative to pure Mg and most other Mg alloys, significantly contributing to the improved ductility of the alloy. This Mg-Zn-Ca alloy exhibiting excellent mechanical properties and low fabrication cost is a promising candidate for industrial productions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Si impurities on microstructure and tensile properties of a cast Al-Mg-Fe alloy

Al-Mg alloys are attractive for structural castings owing to their superior strength and ductility in the as-cast state. However, given the tight tolerance for impurities, Al-Mg alloys produced from secondary sources still face multiple challenges. Here, we report the effect of increased Si impurity (0.05–1.6 wt%), which is commonly found in secondary Al sources, on microstructure and tensile properties of a cast Al-4.3Mg-1.6Fe (wt%) alloy, commercially referred to as Castaduct-42 alloy. Microstructural characterization revealed that Si addition increased the volume fraction, size, and aspect ratio of primary Al13Fe4 intermetallic particles as well as the volume fraction of other binary and ternary eutectic phases. Tensile testing results demonstrated that increasing Si impurities from 0.05 to 1.6 wt% reduced ductility from 14.3 ± 1.4 % to 2.2 ± 1.0 %. A particle cracking damage accumulation model coupled with failure analysis indicated primary Al13Fe4 intermetallic particles to be the major contributing factor to the deterioration in ductility with increasing Si content. Additionally, the stabilizing effect of Si on primary Al 13 Fe 4 was inconsistent with the CALPHAD calculation results based on existing CALPHAD databases which predict a slightly decreasing primary Al13Fe4 phase fraction with increasing Si concentration. This work provides new insights into the phase stability and mechanical behavior of the lesser studied Al-Mg-Fe-Si alloy system that will contribute to the development of sustainable cast Al-Mg based alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg by Materials Project

Mg is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg by Materials Project

Mg is Magnesium structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.20 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg by Materials Project

Mg is Hg_xSn structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg atoms to form a mixture of edge and corner-sharing MgMg8 hexagonal bipyramids. There are six shorter (3.06 Å) and two longer (3.16 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗