Crystal Lab › Prototype structures › Orthorhombic
Arcanite (β-K₂SO₄, H1₆)
Orthorhombic · space group Pnma (No. 62) · Pearson oP28 · Strukturbericht H16 · mineral: arcanite
Symmetry elements and Wyckoff positions (interactive)
Arcanite (β-K₂SO₄, H1₆) in Pnma
SettingUnit cell
- Lattice constants
- a = 7.476 Å, b = 5.763 Å, c = 10.071 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 433.9 ų
- Atoms in the conventional cell
- 28 (K 8, O 16, S 4)
- Formula units Z
- 4
- Pearson symbol
- oP28 — orthorhombic, primitive lattice, 28 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| K1 | K | 4c | 4 | 0.1738 | 0.2500 | 0.5894 |
| K2 | K | 4c | 4 | 0.4890 | 0.2500 | 0.2959 |
| O3 | O | 4c | 4 | 0.5379 | 0.2500 | 0.5834 |
| O4 | O | 4c | 4 | 0.7963 | 0.2500 | 0.4418 |
| S6 | S | 4c | 4 | 0.7330 | 0.2500 | 0.5803 |
| O5 | O | 8d | 8 | 0.1991 | 0.5412 | 0.3522 |
The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 28 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.
How to read the label
A2B4C_oP28_62_2c_2cd_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP28, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (K: 4c; K: 4c; O: 4c; O: 4c; S: 4c; O: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ba₂CoO₄, Ba₂CrO₄, Ba₂GeO₄, Ba₂GeS₄, Ba₂PdD₄, Ba₂SiO₄, Ba₂SiS₄, Ba₂TiS₄, Ca₂CO₄, Ca₂SiO₄, Cs₂CrO₄, Cs₂FeO₄, Cs₂MgD₄, Cs₂MnO₄, Cs₂MoO₄, Cs₂MoS₄, Cs₂MoSe₄, Cs₂RuO₄, Cs₂SO₄, Cs₂SeO₄, Cs₂TeO₄, Cs₂WO₄, Cs₂WS₄, Cs₂ZnD₄, Eu₂PdD₄, Eu₂SiO₄, K₂CrO₄, K₂FeO₄, K₂MnO₄, K₂MoS₄, K₂RuO₄, K₂SeO₄, K₂WS₄, K₂WSe₄, K₂ZnD₄, Rb₂CrO₄, Rb₂MgD₄, Rb₂MgH₄, Rb₂MnO₄, Rb₂MoO₄, Rb₂MoS₄, Rb₂RuO₄, Rb₂SO₄, Rb₂SeO₄, Rb₂WS₄, Rb₂ZnD₄, Sr₂CO₄, Sr₂PdD₄, Sr₂SiO₄, Tl₂CrO₄, Tl₂SO₄, Tl₂SeO₄, (NH₄)₂BeF₄, (NH₄)₂MoS₄, (NH₄)₂SO₄, (NH₄)₂WS₄, (NH₄)₂WSe₄, (NH₄)₂ZnCl₄ <!--beginning with an
Note: H1₆, Arcanite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B4C_oP28_62_2c_2cd_c-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.
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