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Refinement of the crystal structure of emplectite, CuBiS2*

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie
From the journal Zeitschrift für Kristallographie Volume 141 Issue 5-6

Abstract

The crystal structure of emplectite, CuBiS2, has been refined with the aid of three-dimensional x-ray intensity data. The space group is Pnma and the lattice dimensions are: a = 6.1426(3), b = 3.9189(4) and c = 14.5282(7) Å; Z = 4. The intensities were measured by means of a Supper-Pace autodiffractometer using CuKα radiation. The final R value for the 375 independent reflections is 0.063.

The resulting structure corresponds to the structures of Hofmann (1933) and Kupčík (1965). The three smallest Bi–S distances [2.536(4) and two of 2.653(2) Å] span a trigonal pyramid with Bi at the vertex. The BiS3 pyramids are coupled by corner sharing to endless chains with composition BiS2 and b as period. Cu is coordinated by four S atoms [at distances 2.304(5), 2.317(5) and two of 2.343(3) Å] in a nearly regular tetrahedron. The BiS2 chains join with chains of CuS4 tetrahedra to form sheets parallel to (001). Because of the endless BiS2 chains emplectite belongs to type IV.a3 of Nowacki's (1969) classification.

The known structures of the Cu,Bi-bearing sulfosalts CuBi5S8, Cu2+xBi6−xS9 (x = 1.21), hodrushite, Cu4Bi4S9 and emplectite have in common structural units which can be described as double chains of BiS5 square pyramids. Such a pyramid is formed by the five nearest S neighbours of the Bi atom, while the Bi itself lies near the center of the basal plane. Each BiS5 pyramid shares two opposite edges of the basal plane with adjacent pyramids in one endless chain; two side edges are shared with pyramids belonging to the second chain, which is parallel and equivalent to the first chain. The double chain has a composition of Bi2S4 and a period of 4 Å corresponding to the shortest lattice dimension of the structures mentioned.

Published Online: 2010-07-28
Published in Print: 1975-10

Articles in the same Issue

  1. The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
  2. Neutron-diffraction studies of CuSO4 · 5H2O and CuSO4 · 5D2O
  3. Strukturverfeinerung von Ammonium-9-molybdomanganat, (NH4)6[MnMo9O32]: nH2O (n = 6−8)
  4. Die Kristallstruktur von Te2O3 (HPO4)
  5. Die Kristallstruktur von Caesium-Zinkazid Cs2Zn(N3)4
  6. Refinement of NiYb2Be2Si2O10, a gadolinite-type structure
  7. Refinement of the crystal structure of emplectite, CuBiS2*
  8. Structure cristalline du polyphosphate de baryum-potassium, Ba2K(PO3)5
  9. On the formation of rhombohedral structures in cadmium iodide crystals
  10. Crystal chemistry of some tetrahedral oxides
  11. Crystal chemistry and solid solutions amongst the pseudowollastonite-like polytypes of CaSiO3, SrSiO3 and BaSiO3
  12. Crystal structures of three cadmium iodide polytypes based on a ten-layered hexagonal cell
  13. Crystal structures of three new CdI2 polytypes
  14. An automatically recording high-temperature Laue camera
  15. The direction of OH dipoles in axinite: Comparison of the results from x-ray diffraction and infrared studies
  16. Crystal structure of some metal complexes of lactic acid
  17. Space group of glycine ethyl ester monohydrochloride
  18. Errata – Berichtigung
https://doi.org/10.1524/zkri.1975.141.5-6.387

Articles in the same Issue

  1. The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
  2. Neutron-diffraction studies of CuSO4 · 5H2O and CuSO4 · 5D2O
  3. Strukturverfeinerung von Ammonium-9-molybdomanganat, (NH4)6[MnMo9O32]: nH2O (n = 6−8)
  4. Die Kristallstruktur von Te2O3 (HPO4)
  5. Die Kristallstruktur von Caesium-Zinkazid Cs2Zn(N3)4
  6. Refinement of NiYb2Be2Si2O10, a gadolinite-type structure
  7. Refinement of the crystal structure of emplectite, CuBiS2*
  8. Structure cristalline du polyphosphate de baryum-potassium, Ba2K(PO3)5
  9. On the formation of rhombohedral structures in cadmium iodide crystals
  10. Crystal chemistry of some tetrahedral oxides
  11. Crystal chemistry and solid solutions amongst the pseudowollastonite-like polytypes of CaSiO3, SrSiO3 and BaSiO3
  12. Crystal structures of three cadmium iodide polytypes based on a ten-layered hexagonal cell
  13. Crystal structures of three new CdI2 polytypes
  14. An automatically recording high-temperature Laue camera
  15. The direction of OH dipoles in axinite: Comparison of the results from x-ray diffraction and infrared studies
  16. Crystal structure of some metal complexes of lactic acid
  17. Space group of glycine ethyl ester monohydrochloride
  18. Errata – Berichtigung
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