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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Mn11Mn2a20.00000.00000.0000
Mn12Mn2b20.50000.00000.0000
H1H4e40.61300.72900.6830
H2H4e40.72500.64900.7990
H3H4e40.38000.73500.3060
H4H4e40.27900.64800.1980
H5H4e40.97500.72000.0240
H6H4e40.03700.72600.9940
H7H4e40.26700.99200.2070
H8H4e40.27100.01400.3150
K10K4e40.74150.25780.5716
K9K4e40.70630.73230.5366
O13O4e40.88370.62760.0371
O14O4e40.11120.62610.9479
O15O4e40.40020.90920.2509
O16O4e40.45450.15280.2754
O17O4e40.93890.98730.7664
O18O4e40.90270.49380.7174
O19O4e40.56580.49110.3984
O20O4e40.62590.97730.4328
O21O4e40.64630.66840.6805
O22O4e40.35160.66530.3085
O23O4e40.01310.77210.0182
O24O4e40.21980.01030.2087
S25S4e40.04520.49520.8379
S26S4e40.48030.00750.2677

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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