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Donharrisite, Ni3HgS3: Crystal structure and revision of the chemical formula
被引：0
作者：
Bindi, Luca
[1
]
Paar, Werner H.
[2
]
机构：
[1] Dipartimento di Scienze della Terra, Università di Firenze, via La Pira 4, Firenze,I-50121, Italy
[2] Pezoltgasse 46, Salzburg,A-5020, Austria
关键词：
The crystal structure of the mineral donharrisite;
a rare nickel-mercury-sulfide reported in the literature with the formula Ni8Hg3S9;
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 C2/m;
with a = 11.574(3);
b;
6.899(2);
c;
5.419(1);
Å;
β = 93.71(2)° and V = 431.8(2) Å3. 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[S6Ni4;
Hg[S4Ni3;
Ni[S4Ni2;
Ni[S3NiHg;
Ni[S6Ni2Hg2;
Ni[S4Ni3Hg2;
showing exceedingly short bond distances. Electron microprobe analyses of the crystal used for the structural study led to the formula Ni3.03Hg1.01S2.96;
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 Ni3HgS3 with Z = 4 (with a calculated density of 7.27 g/cm3);
instead of Ni8Hg3S9 with Z = 2 (with a calculated density of 5.18 g/cm3) 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. © 2016 Elsevier B.V;
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页码：248 / 253
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