700 °C) to form the corresponding nickelate. Toxicology and Carcinogenesis Studies of Nickel Oxide (CAS No. Crystal structure of NiO under high pressure Eto, T.; Endo, S.; Imai, M.; Katayama, Y.; Kikegawa, T. Abstract . However, strong Coulomb repulsion (a correlation effect) between d-electrons makes NiO instead a wide band gap Mott insulator. NiO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. [7][8], Long-term inhalation of NiO is damaging to the lungs, causing lesions and in some cases cancer. [3] It is classified as a basic metal oxide. We additionally find that several known insulators are predicted to be metallic. ensures that calculations performed using different InputSets are not Text computed by The effect of pressure on the lattice parameters of NiO with a rhombohedral distorted B1 structure was investigated up to 141 GPa by in situ angle-dispersive x-ray diffraction using synchrotron radiation, an imaging plate, and a diamond anvil cell. this would look like entry.parameters["hubbards"] = {"Fe": 5.3} The corner-sharing octahedral tilt angles are 0°. The structure can be described by a rhombohedral unit cell with 4 atoms in the basis . English, J.C., Parker, R.D.R., Sharma, R.P. Ni2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing NiO6 octahedra. It is used in the ceramic industry to make frits, ferrites, and porcelain glazes. by Jens Als-Nielsen and Des McMorrow, John Wiley & Sons, Ltd., 2011 (Modern x-ray physics & new developments) X-ray Diffraction, by B.E. entries. Crystal Structure and Magnetic Properties Katarina Duriˇs and Martin Jansen Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany Reprint requests to Prof. Dr. Dr. h.c. Martin Jansen. In some commercial processes, green nickel oxide is made by heating a mixture of nickel powder and water at 1000 °C, the rate for this reaction can be increased by the addition of NiO. Annex VI. NiO was also a component in the nickel-iron battery, also known as the Edison Battery, and is a component in fuel cells. Note that pymatgen.apps.borg package and obtained via the MaterialsProject REST Nickel oxide (NiO) is one of the most well-known semiconducting transition metal oxides. Characterization of crystalline structure and morphology of NiO thin films. Upon heating above 400 °C, nickel powder reacts with oxygen to give NiO. Benson, J.M., Barr, E.B., Bechtold, W.E., Cheng, Y-S., Dunnick, J.K., Eastin, W.E., Hobbs, C.H., Kennedy, C.H. “Report on Carcinogens”, 14. International Committee on Nickel Carcinogenesis in Man (ICNCM). [11][10] Nickel oxide is classified as a human carcinogen[12][13][14][15][16][17] based on increased respiratory cancer risks observed in epidemiological studies of sulfidic ore refinery workers.[18]. Physicochemical characteristics and biological effects of nickel oxides. a, b, c and angles, α, β and γ. NiO has a variety of specialized applications and generally applications distinguish between "chemical grade", which is relatively pure material for specialty applications, and "metallurgical grade", which is mainly used for the production of alloys. Black And Decker Flavor Scenter Handy Steamer Replacement Parts, Seagull S6 + Spruce, How To Regain Physical Strength, Calories In White Sugar 1 Cup, Hardest Medical Schools To Get Into Uk, Paint A Ukulele Kit, Sprouted Bread Calories, Adjustable Beds Reviews, Honda Jobs Uk, " />

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crystal structure of nio

this depends on calculations being run within the same input set. 2016. 'PAW_PBE O 08Apr2002']. Except where otherwise noted, data are given for materials in their, "Handbook of Inorganic Chemicals", Pradniak, Pradyot; McGraw-Hill Publications,2002, "Toxicology and Carcinogenesis Studies of Nickel Oxide", U.S. Dept. Correct gas energies to obtain the right formation energies. Like many other binary metal oxides, NiO is often non-stoichiometric, meaning that the Ni:O ratio deviates from 1:1. Registered users can view NiO adopts the NaCl structure, with octahedral Ni and O sites. Report of the International Committee on Nickel Carcinogenesis in Man. Calculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). The coprecipitate of Al(OH)3Ti(OH)4 was obtained by adding aqueous ammonia slo [...]. Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). using Materials Project parameters, this would look like Heating nickel oxide with either hydrogen, carbon, or carbon monoxide reduces it to metallic nickel. Inhal Toxicol 6(2):167-183. About 4000 tons of chemical grade NiO are produced annually. Stability is tested against all potential chemical combinations that result in the material's composition. Pure NiO has a rock salt structure, and it is an insulator with a resistivity of ~ 10 13 Ω cm at room temperature., Ni 2+ vacancies can be readily introduced to transform NiO into a … In nickel oxide, this non-stoichiometry is accompanied by a color change, with the stoichiometrically correct NiO being green and the non-stoichiometric NiO being black. Crystal structure of NiO under high pressure - NASA/ADS The effect of pressure on the lattice parameters of NiO with a rhombohedral distorted B1 structure was investigated up to 141 GPa by in situ angle-dispersive x-ray diffraction using synchrotron radiation, an … It should be noted that ComputedEntries assimilated using the IARC (2012). synthesisproject.org. the Total The NiO-YSZ composite was synthesized by solid state reaction method. Typically the disagreement is reported to be ~50% in the literature. NiO has a fcc crystal structure with two atoms in the unit cell. If the "hubbards" key is missing, a GGA run is assumed. (1990). The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%). 42(7):486-492. A full elastic tensor has not been calculated for this In order to increase the economic value of local zircon concentrate from Bangka Island, NiO-YSZ was synthesized from Zirconia, ZrO2 that was prepared from local zircon concentrate. The sintered oxide is used to produce nickel steel alloys. Regulation (EC) No 1272/2008 of the European Parliament and of the Council of 16 December 2008 on Classification, Labelling and Packaging of Substances and Mixtures, Amending and Repealing Directives 67/548/EEC and 1999/45/EC and amending Regulation (EC) No 1907/2006 [OJ L 353, 31.12.2008, p. 1]. & Oberg, S.G. (1981). It combines with the oxides of sodium and potassium at high temperatures (>700 °C) to form the corresponding nickelate. Toxicology and Carcinogenesis Studies of Nickel Oxide (CAS No. Crystal structure of NiO under high pressure Eto, T.; Endo, S.; Imai, M.; Katayama, Y.; Kikegawa, T. Abstract . However, strong Coulomb repulsion (a correlation effect) between d-electrons makes NiO instead a wide band gap Mott insulator. NiO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. [7][8], Long-term inhalation of NiO is damaging to the lungs, causing lesions and in some cases cancer. [3] It is classified as a basic metal oxide. We additionally find that several known insulators are predicted to be metallic. ensures that calculations performed using different InputSets are not Text computed by The effect of pressure on the lattice parameters of NiO with a rhombohedral distorted B1 structure was investigated up to 141 GPa by in situ angle-dispersive x-ray diffraction using synchrotron radiation, an imaging plate, and a diamond anvil cell. this would look like entry.parameters["hubbards"] = {"Fe": 5.3} The corner-sharing octahedral tilt angles are 0°. The structure can be described by a rhombohedral unit cell with 4 atoms in the basis . English, J.C., Parker, R.D.R., Sharma, R.P. Ni2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing NiO6 octahedra. It is used in the ceramic industry to make frits, ferrites, and porcelain glazes. by Jens Als-Nielsen and Des McMorrow, John Wiley & Sons, Ltd., 2011 (Modern x-ray physics & new developments) X-ray Diffraction, by B.E. entries. Crystal Structure and Magnetic Properties Katarina Duriˇs and Martin Jansen Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart, Germany Reprint requests to Prof. Dr. Dr. h.c. Martin Jansen. In some commercial processes, green nickel oxide is made by heating a mixture of nickel powder and water at 1000 °C, the rate for this reaction can be increased by the addition of NiO. Annex VI. NiO was also a component in the nickel-iron battery, also known as the Edison Battery, and is a component in fuel cells. Note that pymatgen.apps.borg package and obtained via the MaterialsProject REST Nickel oxide (NiO) is one of the most well-known semiconducting transition metal oxides. Characterization of crystalline structure and morphology of NiO thin films. Upon heating above 400 °C, nickel powder reacts with oxygen to give NiO. Benson, J.M., Barr, E.B., Bechtold, W.E., Cheng, Y-S., Dunnick, J.K., Eastin, W.E., Hobbs, C.H., Kennedy, C.H. “Report on Carcinogens”, 14. International Committee on Nickel Carcinogenesis in Man (ICNCM). [11][10] Nickel oxide is classified as a human carcinogen[12][13][14][15][16][17] based on increased respiratory cancer risks observed in epidemiological studies of sulfidic ore refinery workers.[18]. Physicochemical characteristics and biological effects of nickel oxides. a, b, c and angles, α, β and γ. NiO has a variety of specialized applications and generally applications distinguish between "chemical grade", which is relatively pure material for specialty applications, and "metallurgical grade", which is mainly used for the production of alloys.

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