Aqua regia digestion cannot completely extract Hg from biochar: A synchrotron-based study
Abstract not provided
Liu, Wenfu↗
SEARCH · Engineering Papers
Results for “Hg”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Application of biochar prepared from ethanol refinery by-products for Hg stabilization in floodplain soil: Impacts of drying and rewetting
Abstract not provided
Ptacek, Carol J.↗
Sustainable existence of solid mercury (Hg) nanoparticles at room temperature and their applications
Formation of the stable solid mercury nanoparticles by acoustic cavitation and their electrochemical activity compared to its bulk liquid metal.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Probing the effect of magnetic field on charge order in the quasi-two-dimensional Mott insulator κ - (ET) 2 Hg(SCN) 2 Cl
Molecular-based quasi-two-dimensional charge-ordered Mott insulators can possess both spin S = 1/2 and an electric dipole degree of freedom residing on each (BEDT - TTF) 2 lattice site. There exists a theoretical proposal for a magnetoelectric effect in such a material, which can manifest itself as a sensitivity of charge distribution on (BEDT - TTF) 2 dimers to the magnetic field. Here in this work, we used Raman scattering spectroscopy in the magnetic field up to 31 T applied perpendicular to the two-dimensional triangular lattice planes to probe a magnetoelectric effect in $\kappa$ - (ET) 2 H g (SCN) 2 Cl. This is a model compound, which shows charge order and antiferromagnetic correlations at temperatures below 30 K. We discuss possible reasons for the absence of an observable magnetoelectric effect in the probed temperature and magnetic field ranges.
36 MATERIALS SCIENCE↗
Activator-doped Hg 2 Br 2 as next generation high performance scintillator for high energy physics research and other scientific and imaging applications
Existing COTS inorganic scintillators all have the characteristic of being very good at certain desirable properties, but not sufficient at other desirable properties for HEP. The demand for suitable scintillators (with regards to both scintillation detector properties and suitable pricing), to be used for modern intensities frontier (Mu2e-II), energy frontier (High luminosity large hadron collider) and future e+e- collider projects (aimed as Higgs bosons factory, such as the International Linear Collider (ILC) and the Future Circular Collider (FCC) are putting even higher challenges on crystal scintillators.In this work, we report the development of a novel high-performance scintillators that can address the issues associated with existing scintillators, the activator doped Hg2Br2. Initial results are very encouraging on the detection of gamma and alpha particles using a solid-state photomultiplier (SSPM). The responses have been stable and repeatable. Hg2Br2 also has many advantages over existing COTS scintillators such as: high density, bright, fast, good energy resolution, no intrinsic radiation, radiation hard and cost-effectiveness. Here, we present here why Hg2Br2 is the next generation scintillator for high energy physics experiments as well as other scientific and imaging applications such as planetary science and medical imaging.
36 MATERIALS SCIENCE↗
Development of electrostatic precipitator (ESP) technology to remove elemental mercury vapor, HG(0)
The presence of mercury vapor or other forms of mercury presents issues with worker safety, decommissioning facilities, and environmental impacts. As such, it is desired to develop a strategy to either remove or reduce mercury levels in Oak Ridge’s Y-12 Complex facilities. A testing methodology was developed to evaluate electrostatic precipitator technology for removal of mercury vapor. This methodology involved supplying mercury vapor-containing air to the ESP device by flowing air through a column containing alternating layers of sand and liquid mercury droplets. Initial attempts at quantifying the efficacy of the ESP device in removing mercury vapor were plagued with difficulties in controlling the flow of mercury into the ESP device due to poor performance of the generator column and the contamination of these experiments with mercury from an unknown source. These issues were resolved by creating a new generator column with slower air velocity and higher surface area of liquid mercury, along with moving the air intake for the ESP device to outside of the chemical hood in which testing took place. This resulted in a steady, quantified flow of mercury vapor from the generator column and no observation of unintended mercury sources. A final test of the ESP device under these controlled conditions showed that for a certain amount of time (on the order of 20-30 minutes) mercury concentrations were reduced by approximately 33 - 67% of the inlet concentration. However, episodic releases or pulses of mercury observed only at the outlet indicated that the mercury accumulated in the ESP device is periodically expelled. As a result, it was not deemed to be an efficient strategy for the removal of elemental mercury vapor.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Schiff Moment of 129 Xe and 199 Hg [Slides]
Using Chicoma in 2025, we advanced DFT-based calculations needed to connect fundamental T violating interactions to measurable Schiff moments in heavy nuclei. We implemented DFT for polarized odd nuclear systems, a first step toward treating the time-reversal-breaking mean fields required for Schiff moment calculations. As a validation test, we computed polarizabilities using a perturbation with the dipole operator (see figure to the right) for the odd systems shown in Table 1; while no odd-system effect is expected for polarizabilities, this capability is essential for Schiff moments. Initial mean-field solutions for 129 Xe Schiff moment calculations were also generated.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
An Improved hgcAB Primer Set and Direct High-Throughput Sequencing Expand Hg-Methylator Diversity in Nature
Not Available
59 BASIC BIOLOGICAL SCIENCES↗
UNREVIEWED DISPOSAL QUESTION EVALUATION: Disposal of the Perma-Fix Environmental Services Inc. Macroencapsulated hazardous debris, RLS, radioactively contaminated Cd, Hg and/or Ag contaminated batteries from ORNL at the Area 5 Radioactive Waste Management Site, Nevada National Security Site, Nye County, Nevada
Explore the source record for details and available documents.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Materials Data on Ag2Hg3 by Materials Project
Ag2Hg3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are a spread of Ag–Ag bond distances ranging from 3.07–3.12 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.43 Å. In the second Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are a spread of Ag–Ag bond distances ranging from 2.98–3.24 Å. There are a spread of Ag–Hg bond distances ranging from 2.97–3.27 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are one shorter (2.94 Å) and one longer (3.09 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.94–3.47 Å. In the fourth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. There are one shorter (3.07 Å) and one longer (3.20 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.90–3.25 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. There are one shorter (3.07 Å) and one longer (3.13 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.91–3.15 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.90–3.20 Å. In the seventh Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.15 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.22 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (3.12 Å) and one longer (3.15 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.92–3.14 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. There are one shorter (3.05 Å) and one longer (3.16 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 3.00–3.28 Å. In the tenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (2.96 Å) and one longer (3.09 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.93–3.29 Å. In the eleventh Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.14 Å. There are a spread of Ag–Hg bond distances ranging from 2.95–3.29 Å. In the twelfth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.00 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.21 Å. In the thirteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.93–3.44 Å. In the fourteenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are one shorter (2.98 Å) and one longer (3.27 Å) Ag–Ag bond lengths. There are a spread of Ag–Hg bond distances ranging from 2.93–3.32 Å. In the fifteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.11 Å. There are a spread of Ag–Hg bond distances ranging from 2.91–3.51 Å. In the sixteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.17 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.40 Å. In the seventeenth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. The Ag–Ag bond length is 3.12 Å. There are a spread of Ag–Hg bond distances ranging from 2.92–3.25 Å. In the eighteenth Ag site, Ag is bonded in a 12-coordinate geometry to three Ag and nine Hg atoms. The Ag–Ag bond length is 3.09 Å. There are a spread of Ag–Hg bond distances ranging from 2.98–3.26 Å. In the nineteenth Ag site, Ag is bonded in a 10-coordinate geometry to three Ag and seven Hg atoms. The Ag–Ag bond length is 2.97 Å. There are a spread of Ag–Hg bond distances ranging from 2.89–3.19 Å. In the twentieth Ag site, Ag is bonded in a 11-coordinate geometry to three Ag and eight Hg atoms. There are a spread of Ag–Hg bond distances ranging from 2.94–3.32 Å. There are thirty inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.07–3.19 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.96–3.17 Å. In the third Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are one shorter (3.08 Å) and one longer (3.13 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.24 Å. In the fifth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.12 Å. In the sixth Hg site, Hg is bonded in a 8-coordinate geometry to five Ag and three Hg atoms. There are one shorter (3.03 Å) and one longer (3.06 Å) Hg–Hg bond lengths. In the seventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.26 Å. In the eighth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.27 Å. In the ninth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are one shorter (3.00 Å) and one longer (3.16 Å) Hg–Hg bond lengths. In the tenth Hg site, Hg is bonded in a 9-coordinate geometry to five Ag and four Hg atoms. The Hg–Hg bond length is 3.02 Å. In the eleventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. The Hg–Hg bond length is 3.15 Å. In the twelfth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.08 Å. In the thirteenth Hg site, Hg is bonded in a 8-coordinate geometry to six Ag and two Hg atoms. The Hg–Hg bond length is 3.07 Å. In the fourteenth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.14 Å. In the fifteenth Hg site, Hg is bonded in a 11-coordinate geometry to five Ag and six Hg atoms. The Hg–Hg bond length is 3.31 Å. In the sixteenth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.15 Å. In the seventeenth Hg site, Hg is bonded in a 12-coordinate geometry to five Ag and six Hg atoms. The Hg–Hg bond length is 3.04 Å. In the eighteenth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.14 Å. In the nineteenth Hg site, Hg is bonded in a 8-coordinate geometry to six Ag and two Hg atoms. The Hg–Hg bond length is 3.04 Å. In the twentieth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. There are one shorter (3.05 Å) and one longer (3.09 Å) Hg–Hg bond lengths. In the twenty-first Hg site, Hg is bonded in a 12-coordinate geometry to six Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.05–3.24 Å. In the twenty-second Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.96–3.11 Å. In the twenty-third Hg site, Hg is bonded in a 9-coordinate geometry to five Ag and four Hg atoms. There are one shorter (3.06 Å) and one longer (3.13 Å) Hg–Hg bond lengths. In the twenty-fourth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. There are one shorter (3.07 Å) and one longer (3.09 Å) Hg–Hg bond lengths. In the twenty-fifth Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. In the twenty-sixth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and four Hg atoms. In the twenty-seventh Hg site, Hg is bonded in a 10-coordinate geometry to five Ag and five Hg atoms. The Hg–Hg bond length is 3.06 Å. In the twenty-eighth Hg site, Hg is bonded in a 9-coordinate geometry to six Ag and three Hg atoms. The Hg–Hg bond length is 3.07 Å. In the twenty-ninth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and four Hg atoms. In the thirtieth Hg site, Hg is bonded in a 10-coordinate geometry to six Ag and five Hg atoms.
36 MATERIALS SCIENCE↗
Materials Data on K7Hg31 by Materials Project
K7Hg31 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are six inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.72–4.02 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.67–3.69 Å. In the third K site, K is bonded in a 2-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.45–4.00 Å. In the fourth K site, K is bonded in a 2-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.45–4.00 Å. In the fifth K site, K is bonded in a 10-coordinate geometry to fourteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.46–3.99 Å. In the sixth K site, K is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of K–Hg bond distances ranging from 3.63–3.83 Å. There are twenty inequivalent Hg sites. In the first Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.35 Å. In the second Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.34 Å. In the third Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.09–3.34 Å. In the fourth Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are two shorter (3.17 Å) and two longer (3.34 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are two shorter (3.17 Å) and two longer (3.35 Å) Hg–Hg bond lengths. In the sixth Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and six Hg atoms. There are two shorter (3.18 Å) and two longer (3.34 Å) Hg–Hg bond lengths. In the seventh Hg site, Hg is bonded in a 3-coordinate geometry to three K and four Hg atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Hg–Hg bond lengths. In the eighth Hg site, Hg is bonded in a 3-coordinate geometry to three K and four Hg atoms. There are one shorter (3.34 Å) and one longer (3.36 Å) Hg–Hg bond lengths. In the ninth Hg site, Hg is bonded in a 3-coordinate geometry to three K and four Hg atoms. Both Hg–Hg bond lengths are 3.37 Å. In the tenth Hg site, Hg is bonded in a 10-coordinate geometry to four K and six Hg atoms. There are one shorter (3.05 Å) and one longer (3.07 Å) Hg–Hg bond lengths. In the eleventh Hg site, Hg is bonded in a 10-coordinate geometry to four K and six Hg atoms. There are one shorter (3.05 Å) and one longer (3.07 Å) Hg–Hg bond lengths. In the twelfth Hg site, Hg is bonded in a 10-coordinate geometry to four K and six Hg atoms. There are one shorter (3.04 Å) and one longer (3.06 Å) Hg–Hg bond lengths. In the thirteenth Hg site, Hg is bonded in a 4-coordinate geometry to three K and one Hg atom. The Hg–Hg bond length is 3.17 Å. In the fourteenth Hg site, Hg is bonded in a 4-coordinate geometry to three K and one Hg atom. The Hg–Hg bond length is 3.16 Å. In the fifteenth Hg site, Hg is bonded in a 4-coordinate geometry to three K and one Hg atom. The Hg–Hg bond length is 3.17 Å. In the sixteenth Hg site, Hg is bonded in a body-centered cubic geometry to four K and four Hg atoms. The Hg–Hg bond length is 2.94 Å. In the seventeenth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four K and four Hg atoms. The Hg–Hg bond length is 3.03 Å. In the eighteenth Hg site, Hg is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Hg atoms. In the nineteenth Hg site, Hg is bonded in a 4-coordinate geometry to two equivalent K and two equivalent Hg atoms. In the twentieth Hg site, Hg is bonded in a 6-coordinate geometry to two equivalent K and two equivalent Hg atoms.
36 MATERIALS SCIENCE↗
Materials Data on Rb3Hg20 by Materials Project
Rb3Hg20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight Hg atoms. All Rb–Hg bond lengths are 4.09 Å. There are nineteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. All Hg–Hg bond lengths are 3.20 Å. In the second Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.11 Å. In the third Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. All Hg–Hg bond lengths are 3.11 Å. In the fourth Hg site, Hg is bonded in a 4-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.07–3.36 Å. In the fifth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. All Hg–Hg bond lengths are 3.20 Å. In the sixth Hg site, Hg is bonded in a 4-coordinate geometry to five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.11–3.36 Å. In the seventh Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.11 Å. In the eighth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. In the ninth Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms. All Hg–Hg bond lengths are 3.36 Å. In the tenth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.20 Å. In the eleventh Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. Both Hg–Hg bond lengths are 3.20 Å. In the twelfth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.11 Å. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six equivalent Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.20 Å. In the fourteenth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.20 Å. In the fifteenth Hg site, Hg is bonded in a distorted body-centered cubic geometry to four equivalent Rb and four equivalent Hg atoms. In the sixteenth Hg site, Hg is bonded in a 4-coordinate geometry to five Hg atoms. The Hg–Hg bond length is 3.07 Å. In the seventeenth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six Hg atoms. All Hg–Rb bond lengths are 4.09 Å. All Hg–Hg bond lengths are 3.20 Å. In the eighteenth Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Rb and six equivalent Hg atoms. In the nineteenth Hg site, Hg is bonded in a cuboctahedral geometry to twelve Hg atoms. All Hg–Hg bond lengths are 3.36 Å.
36 MATERIALS SCIENCE↗
Materials Data on SrHg8 by Materials Project
SrHg8 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 11-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.67–3.88 Å. In the second Sr site, Sr is bonded in a 1-coordinate geometry to sixteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.42–3.99 Å. There are sixteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to two equivalent Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.01–3.36 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to two equivalent Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.98–3.31 Å. In the third Hg site, Hg is bonded in a 8-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.96–3.27 Å. In the fourth Hg site, Hg is bonded in a 8-coordinate geometry to three equivalent Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.20 Å. In the fifth Hg site, Hg is bonded in a 5-coordinate geometry to seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.37 Å. In the sixth Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and four Hg atoms. Both Hg–Hg bond lengths are 3.28 Å. In the seventh Hg site, Hg is bonded in a 6-coordinate geometry to three Sr and five Hg atoms. There are one shorter (3.00 Å) and two longer (3.29 Å) Hg–Hg bond lengths. In the eighth Hg site, Hg is bonded in a 2-coordinate geometry to six Hg atoms. There are two shorter (3.31 Å) and two longer (3.37 Å) Hg–Hg bond lengths. In the ninth Hg site, Hg is bonded in a 7-coordinate geometry to three equivalent Sr and five Hg atoms. There are one shorter (3.05 Å) and one longer (3.18 Å) Hg–Hg bond lengths. In the tenth Hg site, Hg is bonded in a 8-coordinate geometry to three Sr and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.95–3.19 Å. In the eleventh Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.03–3.20 Å. In the twelfth Hg site, Hg is bonded in a 10-coordinate geometry to two equivalent Sr and eight Hg atoms. The Hg–Hg bond length is 3.33 Å. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to two equivalent Sr and seven Hg atoms. The Hg–Hg bond length is 3.00 Å. In the fourteenth Hg site, Hg is bonded in a 2-coordinate geometry to nine Hg atoms. In the fifteenth Hg site, Hg is bonded in a 10-coordinate geometry to two equivalent Sr and eight Hg atoms. In the sixteenth Hg site, Hg is bonded in a 6-coordinate geometry to three Sr and three Hg atoms.
36 MATERIALS SCIENCE↗
Materials Data on Hg12SbBr(ClO3)2 by Materials Project
Hg12SbBr(O3Cl)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are twelve inequivalent Hg+1.50+ sites. In the first Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to two equivalent O2- and one Br1- atom. There are one shorter (2.27 Å) and one longer (2.66 Å) Hg–O bond lengths. The Hg–Br bond length is 3.13 Å. In the second Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one Hg+1.50+, one O2-, and one Cl1- atom. The Hg–Hg bond length is 2.66 Å. The Hg–O bond length is 2.24 Å. The Hg–Cl bond length is 2.83 Å. In the third Hg+1.50+ site, Hg+1.50+ is bonded in a distorted single-bond geometry to one O2-, one Br1-, and one Cl1- atom. The Hg–O bond length is 2.25 Å. The Hg–Br bond length is 3.13 Å. The Hg–Cl bond length is 3.21 Å. In the fourth Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one Hg+1.50+, one O2-, and one Cl1- atom. The Hg–Hg bond length is 2.65 Å. The Hg–O bond length is 2.28 Å. The Hg–Cl bond length is 2.79 Å. In the fifth Hg+1.50+ site, Hg+1.50+ is bonded in a single-bond geometry to one Hg+1.50+ and one O2- atom. The Hg–Hg bond length is 2.68 Å. The Hg–O bond length is 2.26 Å. In the sixth Hg+1.50+ site, Hg+1.50+ is bonded in a 4-coordinate geometry to one Hg+1.50+, two equivalent O2-, and one Br1- atom. There are one shorter (2.29 Å) and one longer (2.64 Å) Hg–O bond lengths. The Hg–Br bond length is 3.34 Å. In the seventh Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one Hg+1.50+, one O2-, and one Cl1- atom. The Hg–Hg bond length is 2.68 Å. The Hg–O bond length is 2.28 Å. The Hg–Cl bond length is 2.81 Å. In the eighth Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The Hg–O bond length is 2.25 Å. The Hg–Cl bond length is 2.84 Å. In the ninth Hg+1.50+ site, Hg+1.50+ is bonded in a single-bond geometry to one O2- atom. The Hg–O bond length is 2.23 Å. In the tenth Hg+1.50+ site, Hg+1.50+ is bonded in a 4-coordinate geometry to one Hg+1.50+, two equivalent O2-, and one Br1- atom. There are one shorter (2.33 Å) and one longer (2.61 Å) Hg–O bond lengths. The Hg–Br bond length is 3.37 Å. In the eleventh Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one Hg+1.50+, two equivalent O2-, one Br1-, and one Cl1- atom. There are one shorter (2.25 Å) and one longer (2.74 Å) Hg–O bond lengths. The Hg–Br bond length is 3.39 Å. The Hg–Cl bond length is 3.32 Å. In the twelfth Hg+1.50+ site, Hg+1.50+ is bonded in a 1-coordinate geometry to one Hg+1.50+, two equivalent O2-, one Br1-, and one Cl1- atom. There are one shorter (2.30 Å) and one longer (2.70 Å) Hg–O bond lengths. The Hg–Br bond length is 3.07 Å. The Hg–Cl bond length is 3.50 Å. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.04 Å) and three longer (2.07 Å) Sb–O bond lengths. In the second Sb3- site, Sb3- is bonded in an octahedral geometry to six O2- atoms. All Sb–O bond lengths are 2.05 Å. In the third Sb3- site, Sb3- is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.04 Å) and three longer (2.07 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Hg+1.50+ and one Sb3- atom to form distorted edge-sharing OHg3Sb tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Hg+1.50+ and one Sb3- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Hg+1.50+ and one Sb3- atom. In the fourth O2- site, O2- is bonded to three Hg+1.50+ and one Sb3- atom to form distorted edge-sharing OHg3Sb tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg+1.50+ and one Sb3- atom. In the sixth O2- site, O2- is bonded to three Hg+1.50+ and one Sb3- atom to form distorted edge-sharing OHg3Sb tetrahedra. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to six Hg+1.50+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six Hg+1.50+ atoms. In the third Br1- site, Br1- is bonded in a 6-coordinate geometry to six Hg+1.50+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to three Hg+1.50+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four Hg+1.50+ atoms.
36 MATERIALS SCIENCE↗
Materials Data on Sr11Hg54 by Materials Project
Sr11Hg54 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 1-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.32–3.74 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.26–3.52 Å. In the third Sr site, Sr is bonded in a 1-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.71 Å. In the fourth Sr site, Sr is bonded in a 1-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.46–3.76 Å. There are fourteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent Hg atoms. All Hg–Hg bond lengths are 3.11 Å. In the second Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.98–3.29 Å. In the third Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.18–3.28 Å. In the fourth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.02–3.36 Å. In the fifth Hg site, Hg is bonded in a 10-coordinate geometry to three equivalent Sr and seven Hg atoms. The Hg–Hg bond length is 3.26 Å. In the sixth Hg site, Hg is bonded in a 7-coordinate geometry to three Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 2.95–3.19 Å. In the seventh Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and three Hg atoms. There are one shorter (3.09 Å) and two longer (3.35 Å) Hg–Hg bond lengths. In the eighth Hg site, Hg is bonded in a 2-coordinate geometry to two Sr and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.15 Å. In the ninth Hg site, Hg is bonded in a distorted hexagonal planar geometry to three equivalent Sr and three equivalent Hg atoms. All Hg–Hg bond lengths are 3.04 Å. In the tenth Hg site, Hg is bonded in a 1-coordinate geometry to one Sr and two equivalent Hg atoms. In the eleventh Hg site, Hg is bonded in a 8-coordinate geometry to four Sr and four Hg atoms. There are one shorter (3.04 Å) and one longer (3.15 Å) Hg–Hg bond lengths. In the twelfth Hg site, Hg is bonded in a 9-coordinate geometry to nine Hg atoms. In the thirteenth Hg site, Hg is bonded in a 9-coordinate geometry to three Sr and four Hg atoms. The Hg–Hg bond length is 3.18 Å. In the fourteenth Hg site, Hg is bonded in a 10-coordinate geometry to three Sr and seven Hg atoms.
36 MATERIALS SCIENCE↗
Materials Data on Sr14Hg51 by Materials Project
Sr14Hg51 is beta Plutonium-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.41–3.79 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.42–3.74 Å. In the third Sr site, Sr is bonded in a 2-coordinate geometry to thirteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.40–3.61 Å. In the fourth Sr site, Sr is bonded in a 12-coordinate geometry to fourteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.34–3.69 Å. In the fifth Sr site, Sr is bonded in a 6-coordinate geometry to fifteen Hg atoms. There are a spread of Sr–Hg bond distances ranging from 3.49–3.63 Å. There are thirteen inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted trigonal planar geometry to three equivalent Sr and eight Hg atoms. There are six shorter (3.23 Å) and two longer (3.24 Å) Hg–Hg bond lengths. In the second Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Sr and eight Hg atoms. There are two shorter (3.19 Å) and six longer (3.21 Å) Hg–Hg bond lengths. In the third Hg site, Hg is bonded in a 4-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.12–3.38 Å. In the fourth Hg site, Hg is bonded in a 4-coordinate geometry to four Sr and two Hg atoms. There are one shorter (3.16 Å) and one longer (3.18 Å) Hg–Hg bond lengths. In the fifth Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Sr and four Hg atoms. All Hg–Hg bond lengths are 3.32 Å. In the sixth Hg site, Hg is bonded in a 11-coordinate geometry to four Sr and seven Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.06–3.32 Å. In the seventh Hg site, Hg is bonded in a 2-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.06–3.32 Å. In the eighth Hg site, Hg is bonded in a 10-coordinate geometry to four Sr and six Hg atoms. There are one shorter (3.04 Å) and one longer (3.29 Å) Hg–Hg bond lengths. In the ninth Hg site, Hg is bonded in a 3-coordinate geometry to four Sr and four Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.24–3.35 Å. In the tenth Hg site, Hg is bonded to four Sr and eight Hg atoms to form distorted face-sharing HgSr4Hg8 cuboctahedra. There are one shorter (2.99 Å) and one longer (3.01 Å) Hg–Hg bond lengths. In the eleventh Hg site, Hg is bonded in a 3-coordinate geometry to three equivalent Sr and seven Hg atoms. In the twelfth Hg site, Hg is bonded in a 12-coordinate geometry to four Sr and eight Hg atoms. In the thirteenth Hg site, Hg is bonded in a 1-coordinate geometry to three Sr and six Hg atoms. Both Hg–Hg bond lengths are 2.97 Å.
36 MATERIALS SCIENCE↗