Crystal Lab › Prototype structures › Tetragonal
BaLa₂ZnO₅
Tetragonal · space group I4/mcm (No. 140) · Pearson tI36
Symmetry elements and Wyckoff positions (interactive)
BaLa₂ZnO₅ in I4/mcm
SettingUnit cell
- Lattice constants
- a = 6.910 Å, b = 6.910 Å, c = 11.598 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 553.8 ų
- Atoms in the conventional cell
- 36 (Ba 4, Zn 4, O 20, La 8)
- Formula units Z
- 4
- Pearson symbol
- tI36 — tetragonal, body-centred lattice, 36 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ba1 | Ba | 4a | 4 | 0.0000 | 0.0000 | 0.2500 |
| Zn5 | Zn | 4b | 4 | 0.0000 | 0.5000 | 0.2500 |
| O3 | O | 4c | 4 | 0.0000 | 0.0000 | 0.0000 |
| La2 | La | 8h | 8 | 0.1737 | 0.6737 | 0.0000 |
| O4 | O | 16l | 16 | 0.3548 | 0.8548 | 0.1357 |
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 36 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
AB2C5D_tI36_140_a_h_cl_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI36, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Ba: 4a; Zn: 4b; O: 4c; La: 8h; O: 16l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
BaCe₂CoS₅, BaCe₂FeS₅, BaCe₂MnS₅, BaCe₂ZnS₅, BaEu₂ZnO₅, BaLa₂CoS₅, BaLa₂FeS₅, BaLa₂MnS₅, BaLa₂ZnO₅, BaLa₂ZnS₅, BaNd₂CoS₅, BaNd₂FeS₅, BaNd₂MnS₅, BaNd₂ZnO₅, BaNd₂ZnS₅, BaPr₂CoS₅, BaPr₂FeS₅, BaPr₂MnS₅, BaPr₂ZnO₅, BaPr₂ZnS₅, BaSm₂FeS₅, BaSm₂ZnO₅, EuSr₂FeO₅, GaBa₂NdS₅, GaBa₂PrS₅, GaSr₂LaO₅, GaSr₂PrO₅, Sr(Sr_{0.5}Gd_{0.5})₂GaO₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C5D_tI36_140_a_h_cl_b-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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