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Crystal Lab › Prototype structures › Orthorhombic

Sr₃SnO₇

Orthorhombic · space group Cmcm (No. 63) · Pearson oC48

Symmetry elements and Wyckoff positions (interactive)

Sr₃SnO₇ in Cmcm

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

Unit cell

Lattice constants
a = 20.688 Å, b = 5.736 Å, c = 5.710 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
677.6 ų
Atoms in the conventional cell
48 (O 28, Sr 12, Sn 8)
Formula units Z
4
Pearson symbol
oC48 — orthorhombic, base-centred lattice, 48 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O4c40.00000.69500.2500
Sr6Sr4c40.00000.24100.2500
O2O8e80.39390.00000.0000
O3O8e80.08730.00000.0000
O4O8g80.30330.28800.2500
Sn5Sn8g80.40270.25100.2500
Sr7Sr8g80.31210.73900.2500

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 48 atoms drawn above are these sites multiplied by all 16 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

A7B2C3_oC48_63_c2eg_g_cg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC48, then the space-group number 63, then the Wyckoff letters occupied by each element in turn (O: 4c; Sr: 4c; O: 8e; O: 8e; O: 8g; Sn: 8g; Sr: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

La₃Ni₂O₇ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B2C3_oC48_63_c2eg_g_cg-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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