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Crystal Lab › Prototype structures › Orthorhombic

Nb₈P₅

Orthorhombic · space group Pbam (No. 55) · Pearson oP54

Symmetry elements and Wyckoff positions (interactive)

Nb₈P₅ in Pbam

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

Unit cell

Lattice constants
a = 26.200 Å, b = 9.465 Å, c = 3.464 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
859.0 ų
Atoms in the conventional cell
54 (Nb 34, P 20)
Formula units Z
2
Pearson symbol
oP54 — orthorhombic, primitive lattice, 54 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Nb1Nb2a20.00000.00000.0000
Nb2Nb4g40.21640.25050.0000
Nb3Nb4g40.32590.41370.0000
Nb4Nb4g40.04850.50360.0000
P10P4g40.06550.20790.0000
P11P4g40.33880.99200.0000
P12P4g40.42720.30060.0000
Nb5Nb4h40.49660.24440.5000
Nb6Nb4h40.08410.00230.5000
Nb7Nb4h40.12080.33270.5000
Nb8Nb4h40.26520.00290.5000
Nb9Nb4h40.37620.16750.5000
P13P4h40.17060.10440.5000
P14P4h40.28620.25900.5000

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 54 atoms drawn above are these sites multiplied by all 8 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

A17B10_oP54_55_a3g5h_3g2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP54, then the space-group number 55, then the Wyckoff letters occupied by each element in turn (Nb: 2a; Nb: 4g; Nb: 4g; Nb: 4g; P: 4g; P: 4g; P: 4g; Nb: 4h; Nb: 4h; Nb: 4h; Nb: 4h; Nb: 4h; P: 4h; P: 4h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Zr₈As₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A17B10_oP54_55_a3g5h_3g2h-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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