Crystal Lab › Prototype structures › Monoclinic
Manganese-leonite [K₂Mn(SO₄)₂cdot4H₂O, H4₂₃]
Monoclinic · space group C12/m1 (No. 12) · Pearson mC112 · Strukturbericht H423 · mineral: manganese-leonite
Symmetry elements and Wyckoff positions (interactive)
Manganese-leonite [K₂Mn(SO₄)₂cdot4H₂O, H4₂₃] in C12/m1
SettingUnit cell
- Lattice constants
- a = 12.017 Å, b = 9.594 Å, c = 16.259 Å; α = 90.00°, β = 142.44°, γ = 90.00°
- Cell volume
- 1142.6 ų
- Atoms in the conventional cell
- 112 (Mn 4, O 60, H 32, S 8, K 8)
- Formula units Z
- 4
- Pearson symbol
- mC112 — monoclinic, base-centred lattice, 112 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn7 | Mn | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Mn8 | Mn | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| O9 | O | 4g | 4 | 0.0000 | 0.2267 | 0.0000 |
| H1 | H | 4i | 4 | 0.8040 | 0.0000 | 0.7430 |
| H2 | H | 4i | 4 | 0.6870 | 0.0000 | 0.7280 |
| O10 | O | 4i | 4 | 0.2322 | 0.0000 | 0.0594 |
| O11 | O | 4i | 4 | 0.7806 | 0.0000 | 0.0965 |
| O12 | O | 4i | 4 | 0.1040 | 0.0000 | 0.4354 |
| O13 | O | 4i | 4 | 0.7910 | 0.0000 | 0.7806 |
| S19 | S | 4i | 4 | 0.6628 | 0.0000 | 0.9558 |
| S20 | S | 4i | 4 | 0.7310 | 0.0000 | 0.5202 |
| H3 | H | 8j | 8 | 0.1930 | 0.7760 | 0.6210 |
| H4 | H | 8j | 8 | 0.3050 | 0.8490 | 0.7260 |
| H5 | H | 8j | 8 | 0.5200 | 0.7710 | 0.9730 |
| K6 | K | 8j | 8 | 0.9196 | 0.7633 | 0.2494 |
| O14 | O | 8j | 8 | 0.5459 | 0.8743 | 0.8871 |
| O15 | O | 8j | 8 | 0.7506 | 0.0973 | 0.5987 |
| O16 | O | 8j | 8 | 0.7203 | 0.1457 | 0.5480 |
| O17 | O | 8j | 8 | 0.5672 | 0.0236 | 0.3754 |
| O18 | O | 8j | 8 | 0.1868 | 0.8351 | 0.6481 |
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 112 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
A8B2CD15E2_mC112_12_2i3j_j_ac_g4i5j_2i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC112, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Mn: 2a; Mn: 2c; O: 4g; H: 4i; H: 4i; O: 4i; O: 4i; O: 4i; O: 4i; S: 4i; S: 4i; H: 8j; H: 8j; H: 8j; K: 8j; O: 8j; O: 8j; O: 8j; O: 8j; O: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
(NH₂)₂Co(SO₄)₂cdot4H₂O, (NH₂)₂Cu(SO₄)₂cdot4H₂O, (NH₂)₂Fe(SO₄)₂cdot4H₂O, (NH₂)₂Mg(SO₄)₂cdot4H₂O, (NH₂)₂Mn(SO₄)₂cdot4H₂O, Cd₂Co(SO₄)₂cdot4H₂O, Cd₂Cu(SO₄)₂cdot4H₂O, Cd₂Fe(SO₄)₂cdot4H₂O, Cd₂Mg(SO₄)₂cdot4H₂O, Cd₂Mn(SO₄)₂cdot4H₂O, Cs₂Co(SO₄)₂cdot4H₂O, Cs₂Cu(SO₄)₂cdot4H₂O, Cs₂Fe(SO₄)₂cdot4H₂O, Cs₂Mg(SO₄)₂cdot4H₂O, Cs₂Mn(SO₄)₂cdot4H₂O, K₂Co(SO₄)₂cdot4H₂O, K₂Cu(SO₄)₂cdot4H₂O, K₂Fe(SO₄)₂cdot4H₂O (mereiterite), K₂Mg(SO₄)₂cdot4H₂O (leonite), Rb₂Co(SO₄)₂cdot4H₂O, Rb₂Cu(SO₄)₂cdot4H₂O, Rb₂Fe(SO₄)₂cdot4H₂O, Rb₂Mg(SO₄)₂cdot4H₂O, Rb₂Mn(SO₄)₂cdot4H₂O, Tl₂Co(SO₄)₂cdot4H₂O, Tl₂Cu(SO₄)₂cdot4H₂O, Tl₂Fe(SO₄)₂cdot4H₂O
Note: H4₂₃, Mn-leonite (RT).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B2CD15E2_mC112_12_2i3j_j_ac_g4i5j_2i-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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