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Crystal Lab › Prototype structures › Hexagonal

Nb₇Rh₆B₈

Hexagonal · space group P63/m (No. 176) · Pearson hP126

Symmetry elements and Wyckoff positions (interactive)

Nb₇Rh₆B₈ in P63/m

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

Unit cell

Lattice constants
a = 16.131 Å, b = 16.131 Å, c = 6.569 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
1480.2 ų
Atoms in the conventional cell
126 (Nb 42, B 48, Rh 36)
Formula units Z
6
Pearson symbol
hP126 — hexagonal / trigonal, primitive lattice, 126 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Nb6Nb2a20.00000.00000.2500
Nb7Nb2c20.33330.66670.2500
Nb8Nb2d20.66670.33330.2500
B1B6h60.33200.99800.2500
B2B6h60.31300.33000.2500
Nb10Nb6h60.55250.81840.2500
Nb11Nb6h60.21170.15290.2500
Nb12Nb6h60.45060.18310.2500
Nb13Nb6h60.60250.12340.2500
Nb14Nb6h60.39930.87840.2500
Nb9Nb6h60.07370.21840.2500
B3B12i120.54530.30630.4940
B4B12i120.56630.20330.5120
B5B12i120.09840.12740.4960
Rh15Rh12i120.44350.04170.5263
Rh16Rh12i120.29270.06920.4914
Rh17Rh12i120.37510.26460.4682

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 126 atoms drawn above are these sites multiplied by all 12 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

A8B7C6_hP126_176_2h3i_acd6h_3i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP126, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Nb: 2a; Nb: 2c; Nb: 2d; B: 6h; B: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; B: 12i; B: 12i; B: 12i; Rh: 12i; Rh: 12i; Rh: 12i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ta₇Rh₆B₈ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B7C6_hP126_176_2h3i_acd6h_3i-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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