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Crystal Lab › Prototype structures › Monoclinic

α-Na₂U₂O₇ Na₂O₇U₂

Monoclinic · space group P121/c1 (No. 14) · Pearson mP44

Symmetry elements and Wyckoff positions (interactive)

α-Na₂U₂O₇ in P121/c1

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

Unit cell

Lattice constants
a = 12.122 Å, b = 7.838 Å, c = 12.762 Å; α = 90.00°, β = 147.52°, γ = 90.00°
Cell volume
651.2 ų
Atoms in the conventional cell
44 (Na 8, O 28, U 8)
Formula units Z
4
Pearson symbol
mP44 — monoclinic, primitive lattice, 44 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Na1Na2a20.00000.00000.0000
Na2Na2c20.00000.00000.5000
Na3Na4e40.49200.25800.5180
O4O4e40.12300.96200.8920
O5O4e40.30200.68100.0420
O6O4e40.34700.27000.0740
O7O4e40.09000.76400.6840
O8O4e40.09900.20600.6970
O9O4e40.62500.52600.2160
O10O4e40.57700.09100.1670
U11U4e40.00800.26200.7620
U12U4e40.47000.01700.2285

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 44 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

A2B7C2_mP44_14_ace_7e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP44, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Na: 2a; Na: 2c; Na: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; U: 4e; U: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: α-Na₂U₂O₇.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B7C2_mP44_14_ace_7e_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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