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Na₂Mn₃O₇ Maple Leaf Mn₃Na₂O₇

Triclinic · space group P-1 (No. 2) · Pearson aP24

Symmetry elements and Wyckoff positions (interactive)

Na₂Mn₃O₇ Maple Leaf in P-1

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

Unit cell

Lattice constants
a = 6.619 Å, b = 6.840 Å, c = 7.528 Å; α = 105.77°, β = 106.84°, γ = 111.63°
Cell volume
274.4 ų
Atoms in the conventional cell
24 (Mn 6, Na 4, O 14)
Formula units Z
2
Pearson symbol
aP24 — triclinic, primitive lattice, 24 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mn1Mn2i20.05680.09220.2316
Mn2Mn2i20.32230.35820.0731
Mn3Mn2i20.19950.21690.6455
Na4Na2i20.25200.69090.4912
Na5Na2i20.33510.82640.0695
O6O2i20.40600.21850.2695
O7O2i20.72760.94400.1729
O8O2i20.03800.19720.0273
O9O2i20.14670.35260.4564
O10O2i20.68290.52940.1275
O11O2i20.10800.94830.4054
O12O2i20.44220.62710.3031

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 24 atoms drawn above are these sites multiplied by all 2 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

A3B2C7_aP24_2_3i_2i_7i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP24, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Mn: 2i; Mn: 2i; Mn: 2i; Na: 2i; Na: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2C7_aP24_2_3i_2i_7i-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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