Crystal Lab › Prototype structures › Monoclinic
Manganese-leonite 110K [K₂Mn(SO₄)₂cdot4H₂O]
Monoclinic · space group P121/c1 (No. 14) · Pearson mP100 · mineral: manganese-leonite
Symmetry elements and Wyckoff positions (interactive)
Manganese-leonite 110K [K₂Mn(SO₄)₂cdot4H₂O] in P121/c1
SettingUnit cell
- Lattice constants
- a = 16.237 Å, b = 9.531 Å, c = 12.031 Å; α = 90.00°, β = 142.59°, γ = 90.00°
- Cell volume
- 1131.1 ų
- Atoms in the conventional cell
- 100 (Mn 4, H 32, K 8, O 48, S 8)
- Formula units Z
- 4
- Pearson symbol
- mP100 — monoclinic, primitive lattice, 100 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn11 | Mn | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Mn12 | Mn | 2b | 2 | 0.5000 | 0.0000 | 0.0000 |
| H1 | H | 4e | 4 | 0.6130 | 0.7290 | 0.6830 |
| H2 | H | 4e | 4 | 0.7250 | 0.6490 | 0.7990 |
| H3 | H | 4e | 4 | 0.3800 | 0.7350 | 0.3060 |
| H4 | H | 4e | 4 | 0.2790 | 0.6480 | 0.1980 |
| H5 | H | 4e | 4 | 0.9750 | 0.7200 | 0.0240 |
| H6 | H | 4e | 4 | 0.0370 | 0.7260 | 0.9940 |
| H7 | H | 4e | 4 | 0.2670 | 0.9920 | 0.2070 |
| H8 | H | 4e | 4 | 0.2710 | 0.0140 | 0.3150 |
| K10 | K | 4e | 4 | 0.7415 | 0.2578 | 0.5716 |
| K9 | K | 4e | 4 | 0.7063 | 0.7323 | 0.5366 |
| O13 | O | 4e | 4 | 0.8837 | 0.6276 | 0.0371 |
| O14 | O | 4e | 4 | 0.1112 | 0.6261 | 0.9479 |
| O15 | O | 4e | 4 | 0.4002 | 0.9092 | 0.2509 |
| O16 | O | 4e | 4 | 0.4545 | 0.1528 | 0.2754 |
| O17 | O | 4e | 4 | 0.9389 | 0.9873 | 0.7664 |
| O18 | O | 4e | 4 | 0.9027 | 0.4938 | 0.7174 |
| O19 | O | 4e | 4 | 0.5658 | 0.4911 | 0.3984 |
| O20 | O | 4e | 4 | 0.6259 | 0.9773 | 0.4328 |
| O21 | O | 4e | 4 | 0.6463 | 0.6684 | 0.6805 |
| O22 | O | 4e | 4 | 0.3516 | 0.6653 | 0.3085 |
| O23 | O | 4e | 4 | 0.0131 | 0.7721 | 0.0182 |
| O24 | O | 4e | 4 | 0.2198 | 0.0103 | 0.2087 |
| S25 | S | 4e | 4 | 0.0452 | 0.4952 | 0.8379 |
| S26 | S | 4e | 4 | 0.4803 | 0.0075 | 0.2677 |
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 100 atoms drawn above are these sites multiplied by all 4 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
A8B2CD12E2_mP100_14_8e_2e_ab_12e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP100, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Mn: 2a; Mn: 2b; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; H: 4e; K: 4e; K: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; S: 4e; S: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
K₂Mg(SO₄)₂cdot4H₂O (leonite) <!--beginning with an
Note: Mn-leonite (LT).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B2CD12E2_mP100_14_8e_2e_ab_12e_2e-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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