An arsenate with the ?-CrPO4 structure type, NaCa1-xNi3-2xAl2x(AsO4)3 (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.

Title An arsenate with the ?-CrPO4 structure type, NaCa1-xNi3-2xAl2x(AsO4)3 (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.
Authors R. Ben Smail; M.Faouzi Zid
Journal Acta Crystallogr C Struct Chem
DOI 10.1107/S2053229617013213
Abstract

Since the discovery of electrochemically active LiFePO4, materials with tunnel and layered structures built up of transition metals and polyanions have become the subject of much research. A new quaternary arsenate, sodium calcium trinickel aluminium triarsenate, NaCa1-xNi3-2xAl2x(AsO4)3 (x = 0.23), was synthesized using the flux method in air at 1023?K and its crystal structure was determined from single-crystal X-ray diffraction (XRD) data. This material was also characterized by qualitative energy-dispersive X-ray spectroscopy (EDS) analysis and IR spectroscopy. The crystal structure belongs to the ?-CrPO4 type with the space group Imma. The structure is described as a three-dimensional framework built up of corner-edge-sharing NiO6, (Ni,Al)O6 and AsO4 polyhedra, with channels running along the [100] and [010] directions, in which the sodium and calcium cations are located. The proposed structural model has been validated by bond-valence-sum (BVS) and charge-distribution (CHARDI) tools. The sodium ionic conduction pathways in the anionic framework were investigated by means of the bond-valence site energy (BVSE) model, which predicted that the studied material will probably be a very poor Na+ ion conductor (bond-valence activation energy ?7?eV).

Citation R. Ben Smail; M.Faouzi Zid.An arsenate with the ?-CrPO4 structure type, NaCa1-xNi3-2xAl2x(AsO4)3 (x = 0.23): crystal structure, charge-distribution and bond-valence-sum analyses.. Acta Crystallogr C Struct Chem. 2017;73(Pt 11):896904. doi:10.1107/S2053229617013213

Related Elements

Aluminum

See more Aluminum products. Aluminum (or Aluminium) (atomic symbol: Al, atomic number: 13) is a Block P, Group 13, Period 3 element with an atomic weight of 26.9815386. It is the third most abundant element in the earth's crust and the most abundant metallic element. Aluminum Bohr Model Aluminum's name is derived from alumina, the mineral from which Sir Humphrey Davy attempted to refine it from in 1812. Aluminum was first predicted by Antoine Lavoisier 1787 and first isolated by Hans Christian Øersted in 1825. Aluminum is a silvery gray metal that possesses many desirable characteristics. It is light, nonmagnetic and non-sparking. It stands second among metals in the scale of malleability, and sixth in ductility. It is extensively used in many industrial applications where a strong, light, easily constructed material is needed. Elemental AluminumAlthough it has only 60% of the electrical conductivity of copper, it is used in electrical transmission lines because of its light weight. Pure aluminum is soft and lacks strength, but alloyed with small amounts of copper, magnesium, silicon, manganese, or other elements, it imparts a variety of useful properties.

Arsenic

See more Arsenic products. Arsenic (atomic symbol: As, atomic number: 33) is a Block P, Group 15, Period 4 element with an atomic radius of 74.92160. Arsenic Bohr ModelThe number of electrons in each of arsenic's shells is 2, 8, 18, 5 and its electron configuration is [Ar] 3d10 4s2 4p3. The arsenic atom has a radius of 119 pm and a Van der Waals radius of 185 pm. Arsenic was discovered in the early Bronze Age, circa 2500 BC. It was first isolated by Albertus Magnus in 1250 AD. In its elemental form, arsenic is a metallic grey, brittle, crystalline, semimetallic solid. Elemental ArsenicArsenic is found in numerous minerals including arsenolite (As2O3), arsenopyrite (FeAsS), loellingite (FeAs2), orpiment (As2S3), and realgar (As4S4). Arsenic has numerous applications as a semiconductor and other electronic applications as indium arsenide, silicon arsenide and tin arsenide. Arsenic is finding increasing uses as a doping agent in solid-state devices such as transistors.

Calcium

See more Calcium products. Calcium (atomic symbol: Ca, atomic number: 20) is a Block S, Group 2, Period 4 element with an atomic weight of 40.078. The number of electrons in each of Calcium's shells is [2, 8, 8, 2] and its electron configuration is [Ar]4s2. Calcium Bohr ModelThe calcium atom has a radius of 197 pm and a Van der Waals radius of 231 pm. Calcium was discovered and first isolated by Sir Humphrey Davy in 1808. It is the fifth most abundant element in the earth's crust and can be found in minerals such as dolomite, gypsum, plagioclases, amphiboles, pyroxenes and garnets. In its elemental form, calcium has a dull gray-silver appearance. Calcium is a reactive, soft metal that is a member of the alkaline earth elements. Elemental CalciumIt frequently serves as an alloying agent for other metals like aluminum and beryllium, and industrial materials like cement and mortar are composed of calcium compounds like calcium carbonate. It is also an biologically essential substance found in teeth, bones, and shells. The name "calcium" originates from the Latin word "calics," meaning lime.

Nickel

See more Nickel products. Nickel (atomic symbol: Ni, atomic number: 28) is a Block D, Group 4, Period 4 element with an atomic weight of 58.6934. Nickel Bohr ModelThe number of electrons in each of nickel's shells is [2, 8, 16, 2] and its electron configuration is [Ar]3d8 4s2. Nickel was first discovered by Alex Constedt in 1751. The nickel atom has a radius of 124 pm and a Van der Waals radius of 184 pm. In its elemental form, nickel has a lustrous metallic silver appearance. Nickel is a hard and ductile transition metal that is considered corrosion-resistant because of its slow rate of oxidation. Elemental NickelIt is one of four elements that are ferromagnetic and is used in the production of various type of magnets for commercial use. Nickel is sometimes found free in nature but is more commonly found in ores. The bulk of mined nickel comes from laterite and magmatic sulfide ores. The name originates from the German word kupfernickel, which means "false copper" from the illusory copper color of the ore.

Sodium

Sodium Bohr ModelSee more Sodium products. Sodium (atomic symbol: Na, atomic number: 11) is a Block D, Group 5, Period 4 element with an atomic weight of 22.989769. The number of electrons in each of Sodium's shells is [2, 8, 1] and its electron configuration is [Ne] 3s1. The sodium atom has a radius of 185.8 pm and a Van der Waals radius of 227 pm. Sodium was discovered and first isolated by Sir Humphrey Davy in 1807. In its elemental form, sodium has a silvery-white metallic appearance. It is the sixth most abundant element, making up 2.6 % of the earth's crust. Sodium does not occur in nature as a free element and must be extracted from its compounds (e.g., feldspars, sodalite, and rock salt). The name Sodium is thought to come from the Arabic word suda, meaning "headache" (due to sodium carbonate's headache-alleviating properties), and its elemental symbol Na comes from natrium, its Latin name.

Related Forms & Applications