1. Donharrisite, Ni3HgS3: Crystal structure and revision of the chemical formula.
- Author
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Bindi, Luca and Paar, Werner H.
- Subjects
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NICKEL sulfide , *MERCURY sulfide , *CRYSTAL structure , *CHEMICAL formulas , *INTERMETALLIC compounds , *POLYHEDRA - Abstract
The crystal structure of the mineral donharrisite, a rare nickel-mercury-sulfide reported in the literature with the formula Ni 8 Hg 3 S 9 , was solved and refined using intensity data collected from a crystal from Leogang, Salzburg Province, Austria. This study revealed that the structure is monoclinic, space group C 2/ m , with a = 11.574(3), b = 6.899(2), c = 5.419(1) Å, β = 93.71(2)° and V = 431.8(2) Å 3 . The refinement of an anisotropic model led to an R index of 0.044 for 383 independent reflections. In the crystal structure there are two Hg sites, four Ni sites and 2 S, with one Hg and one Ni site which are half-occupied. As typical of many intermetallic compounds, the donharrisite structure is characterized by atoms forming complex polyhedra as Hg[S 6 Ni 4 ], Hg[S 4 Ni 3 ], Ni[S 4 Ni 2 ], Ni[S 3 NiHg], Ni[S 6 Ni 2 Hg 2 ], Ni[S 4 Ni 3 Hg 2 ], showing exceedingly short bond distances. Electron microprobe analyses of the crystal used for the structural study led to the formula Ni 3.03 Hg 1.01 S 2.96 , on the basis of 7 atoms. On the basis of information gained from this characterization the crystal chemical formula was revised according to the structural results, yielding Ni 3 HgS 3 with Z = 4 (with a calculated density of 7.27 g/cm 3 ), instead of Ni 8 Hg 3 S 9 with Z = 2 (with a calculated density of 5.18 g/cm 3 ) as previously reported. Although neither reflection streaks nor structural disorder were observed for the selected donharrisite crystal, the possibility that the refined structure (with partially-occupied sites and exceedingly short bond distances) could be a superposition of different layers belonging to an OD (order-disorder) structure is also discussed. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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