Crystal Lab › Prototype structures › Orthorhombic
Sr₃SnO₇
Orthorhombic · space group Cmcm (No. 63) · Pearson oC48
Symmetry elements and Wyckoff positions (interactive)
Sr₃SnO₇ in Cmcm
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O1 | O | 4c | 4 | 0.0000 | 0.6950 | 0.2500 |
| Sr6 | Sr | 4c | 4 | 0.0000 | 0.2410 | 0.2500 |
| O2 | O | 8e | 8 | 0.3939 | 0.0000 | 0.0000 |
| O3 | O | 8e | 8 | 0.0873 | 0.0000 | 0.0000 |
| O4 | O | 8g | 8 | 0.3033 | 0.2880 | 0.2500 |
| Sn5 | Sn | 8g | 8 | 0.4027 | 0.2510 | 0.2500 |
| Sr7 | Sr | 8g | 8 | 0.3121 | 0.7390 | 0.2500 |
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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