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Crystal Lab › Prototype structures › Orthorhombic

LaTi₃Bi₄

Orthorhombic · space group Fmmm (No. 69) · Pearson oF64

Symmetry elements and Wyckoff positions (interactive)

LaTi₃Bi₄ in Fmmm

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Bi1Bi8g80.56740.00000.0000
La4La8g80.69590.00000.0000
Ti5Ti8g80.09150.00000.0000
Bi2Bi8h80.00000.16900.0000
Ti6Ti16l160.90620.25000.2500
Bi3Bi16o160.18590.83810.0000

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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