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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrIn3Hg by Materials Project

SrHgIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 8-coordinate geometry to four equivalent Hg and twelve In atoms. All Sr–Hg bond lengths are 3.69 Å. There are a spread of Sr–In bond distances ranging from 3.69–3.97 Å. Hg is bonded in a 9-coordinate geometry to four equivalent Sr and five In atoms. There are one shorter (2.77 Å) and four longer (2.97 Å) Hg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Sr, two equivalent Hg, and two equivalent In atoms. Both In–In bond lengths are 2.99 Å. In the second In site, In is bonded in a 1-coordinate geometry to four equivalent Sr, one Hg, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnHg3 by Materials Project

MnHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Hg atoms to form MnHg12 cuboctahedra that share corners with twelve equivalent MnHg12 cuboctahedra, edges with twenty-four equivalent HgMn4Hg8 cuboctahedra, faces with six equivalent MnHg12 cuboctahedra, and faces with twelve equivalent HgMn4Hg8 cuboctahedra. All Mn–Hg bond lengths are 3.12 Å. Hg is bonded to four equivalent Mn and eight equivalent Hg atoms to form distorted HgMn4Hg8 cuboctahedra that share corners with twelve equivalent HgMn4Hg8 cuboctahedra, edges with eight equivalent MnHg12 cuboctahedra, edges with sixteen equivalent HgMn4Hg8 cuboctahedra, faces with four equivalent MnHg12 cuboctahedra, and faces with fourteen equivalent HgMn4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3(SCl)2 by Materials Project

Hg3S2Cl2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to two S2- and two equivalent Cl1- atoms. There are one shorter (2.36 Å) and one longer (2.44 Å) Hg–S bond lengths. Both Hg–Cl bond lengths are 3.12 Å. In the second Hg2+ site, Hg2+ is bonded to two S2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing HgS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 9°. There are one shorter (2.37 Å) and one longer (2.45 Å) Hg–S bond lengths. All Hg–Cl bond lengths are 3.28 Å. In the third Hg2+ site, Hg2+ is bonded in a distorted see-saw-like geometry to two equivalent S2- and two Cl1- atoms. Both Hg–S bond lengths are 2.78 Å. There are one shorter (2.45 Å) and one longer (2.55 Å) Hg–Cl bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Hg2+ atoms to form distorted SHg4 trigonal pyramids that share corners with two equivalent ClHg5 square pyramids, corners with two equivalent SHg4 trigonal pyramids, and edges with two equivalent ClHg5 square pyramids. In the second S2- site, S2- is bonded in an L-shaped geometry to two Hg2+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Hg2+ atoms. In the second Cl1- site, Cl1- is bonded to five Hg2+ atoms to form distorted ClHg5 square pyramids that share corners with four equivalent ClHg5 square pyramids, corners with two equivalent SHg4 trigonal pyramids, edges with four equivalent ClHg5 square pyramids, and edges with two equivalent SHg4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnHg3(SCl2)2 by Materials Project

Hg3ZnS2Cl4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.44 Å. There are one shorter (2.54 Å) and two longer (2.86 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.54–2.88 Å. In the third Hg2+ site, Hg2+ is bonded in a rectangular see-saw-like geometry to one S2- and three Cl1- atoms. The Hg–S bond length is 2.45 Å. There are a spread of Hg–Cl bond distances ranging from 2.54–2.89 Å. Zn2+ is bonded in a tetrahedral geometry to one S2- and three Cl1- atoms. The Zn–S bond length is 2.21 Å. All Zn–Cl bond lengths are 2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Hg2+ and one Cl1- atom. The S–Cl bond length is 3.61 Å. In the second S2- site, S2- is bonded in a single-bond geometry to one Zn2+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three Hg2+ and one S2- atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Hg2+ and one Zn2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HgP2Xe5F22 by Materials Project

XeF2Hg(XeF2)4(PF6)2 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four Hg(XeF2)4 clusters, eight PF6 clusters, and four XeF2 clusters. In each Hg(XeF2)4 cluster, there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.04 Å) and one longer (2.13 Å) Xe–F bond lengths. In the second Xe site, Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.04 Å) and one longer (2.15 Å) Xe–F bond lengths. Hg is bonded in a 4-coordinate geometry to four F atoms. There are two shorter (2.30 Å) and two longer (2.36 Å) Hg–F bond lengths. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a distorted bent 120 degrees geometry to one Xe and one Hg atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a bent 150 degrees geometry to one Xe and one Hg atom. In each PF6 cluster, P is bonded in an octahedral geometry to six F atoms. There are a spread of P–F bond distances ranging from 1.63–1.67 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one P atom. In the second F site, F is bonded in a single-bond geometry to one P atom. In the third F site, F is bonded in a single-bond geometry to one P atom. In the fourth F site, F is bonded in a single-bond geometry to one P atom. In the fifth F site, F is bonded in a single-bond geometry to one P atom. In the sixth F site, F is bonded in a single-bond geometry to one P atom. In each XeF2 cluster, Xe is bonded in a linear geometry to two equivalent F atoms. Both Xe–F bond lengths are 2.08 Å. F is bonded in a single-bond geometry to one Xe atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmHg2 by Materials Project

SmHg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Hg atoms to form a mixture of edge and face-sharing SmHg12 cuboctahedra. All Sm–Hg bond lengths are 3.38 Å. Hg is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag2Hg by Materials Project

Ag2Hg crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ag is bonded to nine equivalent Ag and three equivalent Hg atoms to form AgAg9Hg3 cuboctahedra that share corners with three equivalent HgAg6Hg6 cuboctahedra, corners with nine equivalent AgAg9Hg3 cuboctahedra, edges with nine equivalent HgAg6Hg6 cuboctahedra, edges with fifteen equivalent AgAg9Hg3 cuboctahedra, faces with six equivalent HgAg6Hg6 cuboctahedra, and faces with twelve equivalent AgAg9Hg3 cuboctahedra. There are three shorter (2.90 Å) and six longer (3.09 Å) Ag–Ag bond lengths. All Ag–Hg bond lengths are 3.06 Å. Hg is bonded to six equivalent Ag and six equivalent Hg atoms to form HgAg6Hg6 cuboctahedra that share corners with six equivalent AgAg9Hg3 cuboctahedra, corners with six equivalent HgAg6Hg6 cuboctahedra, edges with six equivalent HgAg6Hg6 cuboctahedra, edges with eighteen equivalent AgAg9Hg3 cuboctahedra, faces with six equivalent HgAg6Hg6 cuboctahedra, and faces with twelve equivalent AgAg9Hg3 cuboctahedra. All Hg–Hg bond lengths are 3.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuHgSBr by Materials Project

CuHgSBr crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to two equivalent S2- and two Br1- atoms to form CuS2Br2 trigonal pyramids that share corners with two equivalent HgS2Br4 octahedra, corners with two equivalent CuS2Br2 trigonal pyramids, edges with two equivalent HgS2Br4 octahedra, and an edgeedge with one CuS2Br2 trigonal pyramid. The corner-sharing octahedral tilt angles are 57°. Both Cu–S bond lengths are 2.25 Å. There are one shorter (2.44 Å) and one longer (3.15 Å) Cu–Br bond lengths. In the second Cu1+ site, Cu1+ is bonded to two equivalent S2- and two Br1- atoms to form CuS2Br2 trigonal pyramids that share corners with two equivalent HgS2Br4 octahedra, corners with two equivalent CuS2Br2 trigonal pyramids, edges with two equivalent HgS2Br4 octahedra, and an edgeedge with one CuS2Br2 trigonal pyramid. The corner-sharing octahedral tilt angles are 57°. Both Cu–S bond lengths are 2.25 Å. There are one shorter (2.45 Å) and one longer (3.07 Å) Cu–Br bond lengths. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two S2- and four Br1- atoms. Both Hg–S bond lengths are 2.44 Å. There are two shorter (3.18 Å) and two longer (3.62 Å) Hg–Br bond lengths. In the second Hg2+ site, Hg2+ is bonded to two equivalent S2- and four equivalent Br1- atoms to form distorted HgS2Br4 octahedra that share corners with four equivalent HgS2Br4 octahedra, corners with four equivalent CuS2Br2 trigonal pyramids, edges with four HgS2Br4 octahedra, and edges with four equivalent CuS2Br2 trigonal pyramids. The corner-sharing octahedral tilt angles are 13°. Both Hg–S bond lengths are 2.44 Å. All Hg–Br bond lengths are 3.28 Å. In the third Hg2+ site, Hg2+ is bonded to two equivalent S2- and four equivalent Br1- atoms to form distorted HgS2Br4 octahedra that share corners with four equivalent HgS2Br4 octahedra, corners with four equivalent CuS2Br2 trigonal pyramids, edges with four HgS2Br4 octahedra, and edges with four equivalent CuS2Br2 trigonal pyramids. The corner-sharing octahedral tilt angles are 13°. Both Hg–S bond lengths are 2.45 Å. All Hg–Br bond lengths are 3.28 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Cu1+ and two Hg2+ atoms to form corner-sharing SCu2Hg2 trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent Cu1+ and two Hg2+ atoms to form corner-sharing SCu2Hg2 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two Cu1+ and two equivalent Hg2+ atoms. In the second Br1- site, Br1- is bonded in a 8-coordinate geometry to two Cu1+ and six Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgHg3 by Materials Project

AgHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Hg atoms to form AgHg12 cuboctahedra that share corners with twelve equivalent AgHg12 cuboctahedra, edges with twenty-four equivalent HgAg4Hg8 cuboctahedra, faces with six equivalent AgHg12 cuboctahedra, and faces with twelve equivalent HgAg4Hg8 cuboctahedra. All Ag–Hg bond lengths are 3.19 Å. Hg is bonded to four equivalent Ag and eight equivalent Hg atoms to form HgAg4Hg8 cuboctahedra that share corners with twelve equivalent HgAg4Hg8 cuboctahedra, edges with eight equivalent AgHg12 cuboctahedra, edges with sixteen equivalent HgAg4Hg8 cuboctahedra, faces with four equivalent AgHg12 cuboctahedra, and faces with fourteen equivalent HgAg4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VHg3 by Materials Project

VHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Hg atoms to form VHg12 cuboctahedra that share corners with six equivalent VHg12 cuboctahedra, corners with twelve equivalent HgV4Hg8 cuboctahedra, edges with eighteen equivalent HgV4Hg8 cuboctahedra, faces with eight equivalent VHg12 cuboctahedra, and faces with twelve equivalent HgV4Hg8 cuboctahedra. There are six shorter (3.03 Å) and six longer (3.14 Å) V–Hg bond lengths. Hg is bonded to four equivalent V and eight equivalent Hg atoms to form distorted HgV4Hg8 cuboctahedra that share corners with four equivalent VHg12 cuboctahedra, corners with fourteen equivalent HgV4Hg8 cuboctahedra, edges with six equivalent VHg12 cuboctahedra, edges with twelve equivalent HgV4Hg8 cuboctahedra, faces with four equivalent VHg12 cuboctahedra, and faces with sixteen equivalent HgV4Hg8 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 3.06–3.23 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHg3 by Materials Project

Hg3Ga crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded in a 12-coordinate geometry to eight equivalent Hg and four equivalent Ga atoms. There are a spread of Hg–Hg bond distances ranging from 3.27–3.37 Å. There are two shorter (3.25 Å) and two longer (3.32 Å) Hg–Ga bond lengths. Ga is bonded to twelve equivalent Hg atoms to form a mixture of distorted corner and face-sharing GaHg12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbHg2 by Materials Project

TbHg2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten equivalent Hg atoms. There are a spread of Tb–Hg bond distances ranging from 3.18–3.36 Å. Hg is bonded in a 8-coordinate geometry to five equivalent Tb and three equivalent Hg atoms. There are two shorter (3.01 Å) and one longer (3.18 Å) Hg–Hg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3Rh by Materials Project

RhHg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to twelve equivalent Hg atoms to form RhHg12 cuboctahedra that share corners with six equivalent RhHg12 cuboctahedra, corners with twelve equivalent HgHg8Rh4 cuboctahedra, edges with eighteen equivalent HgHg8Rh4 cuboctahedra, faces with eight equivalent RhHg12 cuboctahedra, and faces with twelve equivalent HgHg8Rh4 cuboctahedra. There are six shorter (3.01 Å) and six longer (3.05 Å) Rh–Hg bond lengths. Hg is bonded to four equivalent Rh and eight equivalent Hg atoms to form distorted HgHg8Rh4 cuboctahedra that share corners with four equivalent RhHg12 cuboctahedra, corners with fourteen equivalent HgHg8Rh4 cuboctahedra, edges with six equivalent RhHg12 cuboctahedra, edges with twelve equivalent HgHg8Rh4 cuboctahedra, faces with four equivalent RhHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Rh4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeHg3 by Materials Project

FeHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Hg atoms to form a mixture of face and corner-sharing FeHg12 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.22 Å) Fe–Hg bond lengths. Hg is bonded in a 2-coordinate geometry to four equivalent Fe and six equivalent Hg atoms. There are four shorter (3.01 Å) and two longer (3.07 Å) Hg–Hg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg3Pd by Materials Project

PdHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Hg atoms to form PdHg12 cuboctahedra that share corners with six equivalent PdHg12 cuboctahedra, corners with twelve equivalent HgHg8Pd4 cuboctahedra, edges with eighteen equivalent HgHg8Pd4 cuboctahedra, faces with eight equivalent PdHg12 cuboctahedra, and faces with twelve equivalent HgHg8Pd4 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.23 Å) Pd–Hg bond lengths. Hg is bonded to four equivalent Pd and eight equivalent Hg atoms to form distorted HgHg8Pd4 cuboctahedra that share corners with four equivalent PdHg12 cuboctahedra, corners with fourteen equivalent HgHg8Pd4 cuboctahedra, edges with six equivalent PdHg12 cuboctahedra, edges with twelve equivalent HgHg8Pd4 cuboctahedra, faces with four equivalent PdHg12 cuboctahedra, and faces with sixteen equivalent HgHg8Pd4 cuboctahedra. There are a spread of Hg–Hg bond distances ranging from 2.93–3.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbHg2 by Materials Project

TbHg2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to twelve equivalent Hg atoms to form a mixture of distorted edge and face-sharing TbHg12 cuboctahedra. There are six shorter (3.33 Å) and six longer (3.38 Å) Tb–Hg bond lengths. Hg is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Hg atoms. All Hg–Hg bond lengths are 2.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrHg3 by Materials Project

CrHg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded to twelve equivalent Hg atoms to form CrHg12 cuboctahedra that share corners with twelve equivalent CrHg12 cuboctahedra, edges with twenty-four equivalent HgCr4Hg8 cuboctahedra, faces with six equivalent CrHg12 cuboctahedra, and faces with twelve equivalent HgCr4Hg8 cuboctahedra. All Cr–Hg bond lengths are 3.14 Å. Hg is bonded to four equivalent Cr and eight equivalent Hg atoms to form HgCr4Hg8 cuboctahedra that share corners with twelve equivalent HgCr4Hg8 cuboctahedra, edges with eight equivalent CrHg12 cuboctahedra, edges with sixteen equivalent HgCr4Hg8 cuboctahedra, faces with four equivalent CrHg12 cuboctahedra, and faces with fourteen equivalent HgCr4Hg8 cuboctahedra. All Hg–Hg bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multi-decadal trends in mercury and methylmercury concentrations in the brown watersnake (Nerodia taxispilota)

Mercury (Hg) is an environmental contaminant that poses a threat to aquatic systems globally. Temporal evaluations of Hg contamination have increased in recent years, with studies focusing on how anthropogenic activities impact Hg bioavailability in a variety of aquatic systems. While it is common for these studies and ecological risk assessments to evaluate Hg bioaccumulation and effects in wildlife, there is a paucity of information regarding Hg dynamics in reptiles. The goal of this study was to investigate temporal patterns in total mercury (THg) and methylmercury (MeHg) concentrations across a 36-year period, as well as evaluate relationships among and between destructive (kidney, liver, muscle) and non-destructive (blood, tail) tissue types in a common watersnake species. To accomplish this, we measured THg and MeHg concentrations in multiple tissues from brown watersnakes (Nerodia taxispilota) collected from Steel Creek on the Savannah River Site (SRS; Aiken, SC, USA) from two time periods (1983–1986 and 2019). We discovered significant and positive relationships between tail tips and destructive tissues. In both time periods, THg concentrations varied significantly by tissue type, and destructive tissues exhibited higher but predictable THg values relative to tail tissue. Methylmercury concentrations did not differ among tissues from the 1980s but was significantly higher in muscle compared to other tissues from snakes collected in 2019. Percent MeHg of THg in N. taxispilota tissues mirrored patterns reported in other reptiles, although the range of % MeHg in liver and kidney differed between time periods. Both THg and MeHg concentrations in N. taxispilota declined significantly from the 1980s to 2019, with average values 1.6 to 4-fold lower in contemporary samples. Overall, our data add further evidence to the utility of watersnakes to monitor Hg pollution in aquatic environments and suggest attenuation of this contaminant in watersnakes in our study system.

54 ENVIRONMENTAL SCIENCES↗