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Cu(4.35)Cd(1.65)As(16): the first polyarsenic compound in the Cu-Cd-As system.

ABSTRACT: The first polyarsenic compound in the Cu-Cd-As system was obtained by solid-state reaction of the elements and has a refined composition of Cu(4.35?(2))Cd(1.65?(2))As(16) (tetra-copper dicadmium hexa-deca-arsenide). It adopts the Cu(5)InP(16) structure type. The asymmetric unit consists of one Cu site, a split Cu/Cd site and four As sites. The polyanionic structure can be described as being composed of As(6) rings in chair conformations which are connected in the 1-, 2-, 4- and 5-positions. The resulting layers evolve along the c axis perpendicular to the ab plane. One Cu atom exhibits site symmetry 2 and is tetra-hedrally coordinated by four As atoms. The other Cu atom, representing the split site, and the corresponding Cd atom have different coordination spheres. While the Cu atom is tetra-hedrally coordinated by four As atoms, the Cd atom has a [3 + 1] coordination with a considerably longer Cd-As distance.

SUBMITTER: Osters O

PROVIDER: S-EPMC3246907 | biostudies-other | 2011 Nov

REPOSITORIES: biostudies-other

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Cu(4.35)Cd(1.65)As(16): the first polyarsenic compound in the Cu-Cd-As system.

Osters Oliver O Nilges Tom T

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

The first polyarsenic compound in the Cu-Cd-As system was obtained by solid-state reaction of the elements and has a refined composition of Cu(4.35 (2))Cd(1.65 (2))As(16) (tetra-copper dicadmium hexa-deca-arsenide). It adopts the Cu(5)InP(16) structure type. The asymmetric unit consists of one Cu site, a split Cu/Cd site and four As sites. The polyanionic structure can be described as being composed of As(6) rings in chair conformations which are connected in the 1-, 2-, 4- and 5-positions. The ...[more]

PMID: 22219727

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Project description:Soils interact in many ways with metal ions thereby modifying their mobility, phase distribution, plant availability, speciation, and so on. The most prominent of such interactions is sorption. In this study, we investigated the sorption of Pb, Cd, and Cu in five natural soils of Nigerian origin. A relatively sparsely used method of modelling soil-metal ion adsorption, i.e. adaptive neuro-fuzzy inference system (ANFIS), was applied comparatively with multiple linear regression (MLR) models. The isotherms were well described by Freundlich and Langmuir equations (R2 ≥ 0.95) and the kinetics by nonlinear two-stage kinetic model, TSKM (R2 ≥ 0.81). Based on the values delivered by the Langmuir equation, the maximum adsorption capacities (Qm*) were found to be in the ranges 10,000-20,000, 12,500-50,000, and 4929-35,037 µmol kg-1 for Cd, Cu, and Pb, respectively. The study revealed significant correlations between Qm* and routinely determined soil parameters such as soil organic carbon (Corg), cation exchange capacity (CEC), amorphous Fe and Mn oxides, and percentage clay content. These soil parameters, combined with operational variables (i.e. solution/soil pH, initial metal concentration (Co), and temperature), were used as input vectors in ANFIS and MLR models to predict the adsorption capacities (Qe) of the soil-metal ion systems. A total of 255 different ANFIS and 255 different MLR architectures/models were developed and compared based on three performance metrics: MAE (mean absolute error), RMSE (root mean square errors), and R2 (coefficient of determination). The best ANFIS returned MAEtest 0.134, RMSEtest 0.164, and R2test 0.76, while the best MLR returned MAEtest 0.158, RMSEtest 0.199, and R2test 0.66, indicating the predictive advantage of ANFIS over MLR. Thus, ANFIS can fairly accurately predict the adsorption capacity and/or distribution coefficient of a soil-metal ion system a priori. Nevertheless, more investigation is required to further confirm the robustness/generalisation of the proposed ANFIS.

Dataset Information

Cu(4.35)Cd(1.65)As(16): the first polyarsenic compound in the Cu-Cd-As system.

Publications

Cu(4.35)Cd(1.65)As(16): the first polyarsenic compound in the Cu-Cd-As system.

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