Crystal Lab › Prototype structures › Orthorhombic
LaTi₃Bi₄
Orthorhombic · space group Fmmm (No. 69) · Pearson oF64
Symmetry elements and Wyckoff positions (interactive)
LaTi₃Bi₄ in Fmmm
SettingUnit cell
- Lattice constants
- a = 25.110 Å, b = 10.354 Å, c = 5.945 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1545.8 ų
- Atoms in the conventional cell
- 64 (Bi 32, La 8, Ti 24)
- Formula units Z
- 8
- Pearson symbol
- oF64 — orthorhombic, face-centred lattice, 64 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Bi1 | Bi | 8g | 8 | 0.5674 | 0.0000 | 0.0000 |
| La4 | La | 8g | 8 | 0.6959 | 0.0000 | 0.0000 |
| Ti5 | Ti | 8g | 8 | 0.0915 | 0.0000 | 0.0000 |
| Bi2 | Bi | 8h | 8 | 0.0000 | 0.1690 | 0.0000 |
| Ti6 | Ti | 16l | 16 | 0.9062 | 0.2500 | 0.2500 |
| Bi3 | Bi | 16o | 16 | 0.1859 | 0.8381 | 0.0000 |
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 64 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
A4BC3_oF64_69_gho_g_gl-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF64, then the space-group number 69, then the Wyckoff letters occupied by each element in turn (Bi: 8g; La: 8g; Ti: 8g; Bi: 8h; Ti: 16l; Bi: 16o). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CaTi₃Bi₄, CaV₃Sb₄, CeTi₃Bi₄, DyTi₃Bi₄, ErTi₃Bi₄, EuTi₃Bi₄, GdTi₃Bi₄, HoTi₃Bi₄, LuTi₃Bi₄, NdTi₃Bi₄, PmTi₃Bi₄, PrTi₃Bi₄, SmTi₃Bi₄, TbTi₃Bi₄, TmTi₃Bi₄, YbTi₃Bi₄, Nd(Sb, Sn)₃Bi₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4BC3_oF64_69_gho_g_gl-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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