Dataset Information

Redetermination and new description of the crystal structure of vanthoffite, Na₆Mg(SO₄)₄.

ABSTRACT: The crystal structure of vanthoffite {hexa-sodium magnesium tetra-kis[sulfate-(VI)]}, Na₆Mg(SO₄)₄, was solved in the year 1964 on a synthetic sample [Fischer & Hellner (1964 ?). Acta Cryst. 17, 1613]. Here we report a redetermination of its crystal structure on a mineral sample with improved precision. It was refined in the space group P2₁/c from a crystal originating from Surtsey, Iceland. The unique Mg (site symmetry ) and the two S atoms are in usual, only slightly distorted octa-hedral and tetra-hedral coordinations, respectively. The three independent Na atoms are in a distorted octa-hedral coordination (1×) and distorted 7-coordinations inter-mediate between a 'split octa-hedron' and a penta-gonal bipyramid (2×). [MgO₆] coordination polyhedra inter-change with one half of the sulfate tetra-hedra in <011> chains forming a (100) meshed layer, with dimers formed by edge-sharing [NaO₇] polyhedra filling the inter-chain spaces. The other [NaO₇] polyhedra are organized in a parallel layer formed by [010] and [001] chains united through edge sharing and bonds to the remaining half of sulfate groups and to [NaO₆] octa-hedra. The two types of layers inter-connect through tight bonding, which explains the lack of morphological characteristics typical of layered structures.

SUBMITTER: Balic-Zunic T

PROVIDER: S-EPMC7274003 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Redetermination and new description of the crystal structure of vanthoffite, Na6Mg(SO4)4.

Balić-Žunić Tonči T Pamato Martha G MG Nestola Fabrizio F

Acta crystallographica. Section E, Crystallographic communications 20200501 Pt 6

The crystal structure of vanthoffite {hexa-sodium magnesium tetra-kis[sulfate-(VI)]}, Na6Mg(SO4)4, was solved in the year 1964 on a synthetic sample [Fischer & Hellner (1964 ▸). Acta Cryst. 17, 1613]. Here we report a redetermination of its crystal structure on a mineral sample with improved precision. It was refined in the space group P21/c from a crystal originating from Surtsey, Iceland. The unique Mg (site symmetry ) and ...[more]

PMID: 32523739

Similar Datasets

Project description:The Mg(II) and heterometallic Mn(II)/Na(I) complexes of isoferulic acid (3-hydroxy-4-methoxycinnamic acid, IFA) were synthesized and characterized by infrared spectroscopy FT-IR, FT-Raman, electronic absorption spectroscopy UV/VIS, and single-crystal X-ray diffraction. The reaction of MgCl2 with isoferulic acid in the aqueous solutions of NaOH resulted in synthesis of the complex salt of the general formula of [Mg(H2O)6]⋅(C10H9O4)2⋅6H2O. The crystal structure of this compound consists of discrete octahedral [Mg(H2O)6]2+ cations, isoferulic acid anions and solvent water molecules. The hydrated metal cations are arranged among the organic layers. The multiple hydrogen-bonding interactions established between the coordinated and lattice water molecules and the functional groups of the ligand stabilize the 3D architecture of the crystal. The use of MnCl2 instead of MgCl2 led to the formation of the Mn(II)/Na(I) complex of the general formula [Mn3Na2(C10H7O4)8(H2O)8]. The compound is a 3D coordination polymer composed of centrosymmetric pentanuclear subunits. The antioxidant activity of these compounds was evaluated by assays based on different antioxidant mechanisms of action, i.e., with •OH, DPPH• and ABTS•+ radicals as well as CUPRAC (cupric ions reducing power) and lipid peroxidation inhibition assays. The pro-oxidant property of compounds was measured as the rate of oxidation of Trolox. The Mg(II) and Mn(II)/Na(I) complexes with isoferulic acid showed higher antioxidant activity than ligand alone in DPPH (IFA, IC50 = 365.27 μM, Mg(II) IFA IC50 = 153.50 μM, Mn(II)/Na(I) IFA IC50 = 149.00 μM) and CUPRAC assays (IFA 40.92 μM of Trolox, Mg(II) IFA 87.93 μM and Mn(II)/Na(I) IFA 105.85 μM of Trolox; for compounds' concentration 10 μM). Mg(II) IFA is a better scavenger of •OH than IFA and Mn(II)/Na(I) IFA complex. There was no distinct difference in ABTS•+ and lipid peroxidation assays between isoferulic acid and its Mg(II) complex, while Mn(II)/Na(I) complex showed lower activity than these compounds. The tested complexes displayed only slight antiproliferative activity tested in HaCaT human immortalized keratinocyte cell line within the solubility range. The Mn(II)/Na(I) IFA (16 μM in medium) caused an 87% (±5%) decrease in cell viability, the Mg salt caused a comparable, i.e., 87% (±4%) viability decrease in a concentration of 45 μM, while IFA caused this level of cell activity attenuation (87% ± 5%) at the concentration of 1582 μM (significant at α = 0.05).

Dataset Information

Redetermination and new description of the crystal structure of vanthoffite, Na₆Mg(SO₄)₄.

Publications

Redetermination and new description of the crystal structure of vanthoffite, Na<sub>6</sub>Mg(SO<sub>4</sub>)<sub>4</sub>.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets