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Crystal Lab › Prototype structures › Tetragonal

U₆Mn (D2_{c})

Tetragonal · space group I4/mcm (No. 140) · Pearson tI28 · Strukturbericht D2c

Symmetry elements and Wyckoff positions (interactive)

U₆Mn (D2_{c}) in I4/mcm

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

Unit cell

Lattice constants
a = 10.290 Å, b = 10.290 Å, c = 5.240 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
554.8 ų
Atoms in the conventional cell
28 (Mn 4, U 24)
Formula units Z
4
Pearson symbol
tI28 — tetragonal, body-centred lattice, 28 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mn1Mn4a40.00000.00000.2500
U2U8h80.40680.90680.0000
U3U16k160.21410.10210.0000

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 32 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

AB6_tI28_140_a_hk-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI28, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Mn: 4a; U: 8h; U: 16k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Pu₆Co, Pu₆Fe, U₆Co, U₆Fe, U₆Ni, U₆Np <!--beginning with an

Note: D2_{c}.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB6_tI28_140_a_hk-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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