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Crystal Lab › Prototype structures › Monoclinic

α-BiPd

Monoclinic · space group P1211 (No. 4) · Pearson mP16

Symmetry elements and Wyckoff positions (interactive)

α-BiPd in P1211

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

Unit cell

Lattice constants
a = 5.635 Å, b = 10.660 Å, c = 5.664 Å; α = 90.00°, β = 100.83°, γ = 90.00°
Cell volume
334.2 ų
Atoms in the conventional cell
16 (Bi 8, Pd 8)
Formula units Z
8
Pearson symbol
mP16 — monoclinic, primitive lattice, 16 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Bi1Bi2a20.84810.00000.9133
Bi2Bi2a20.37240.99370.3488
Bi3Bi2a20.15200.71230.6016
Bi4Bi2a20.60710.71390.1559
Pd5Pd2a20.91500.27100.9130
Pd6Pd2a20.32500.26500.3230
Pd7Pd2a20.11400.43700.5940
Pd8Pd2a20.64800.44100.1640

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 16 atoms drawn above are these sites multiplied by all 2 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

AB_mP16_4_4a_4a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP16, then the space-group number 4, then the Wyckoff letters occupied by each element in turn (Bi: 2a; Bi: 2a; Bi: 2a; Bi: 2a; Pd: 2a; Pd: 2a; Pd: 2a; Pd: 2a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

IrU <!--beginning with an

Note: α-BiPd.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB_mP16_4_4a_4a-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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