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Crystal Lab › Prototype structures › Orthorhombic

CdSnP₁₄ (HgPbP₁₄)

Orthorhombic · space group Pnma (No. 62) · Pearson oP64

Symmetry elements and Wyckoff positions (interactive)

CdSnP₁₄ (HgPbP₁₄) in Pnma

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

Unit cell

Lattice constants
a = 12.817 Å, b = 9.826 Å, c = 10.775 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1357.0 ų
Atoms in the conventional cell
64 (Cd 4, P 56, Sn 4)
Formula units Z
4
Pearson symbol
oP64 — orthorhombic, primitive lattice, 64 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cd1Cd4c40.18320.25000.0048
P2P4c40.03050.25000.8372
P3P4c40.44420.25000.2206
P4P4c40.08570.25000.4007
P5P4c40.33140.25000.8477
Sn11Sn4c40.32940.25000.5989
P10P8d80.13950.04330.1393
P6P8d80.47000.07520.3479
P7P8d80.06850.08240.7099
P8P8d80.42560.08040.9176
P9P8d80.17890.07560.3341

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 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

AB14C_oP64_62_c_4c5d_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP64, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cd: 4c; P: 4c; P: 4c; P: 4c; P: 4c; Sn: 4c; P: 8d; P: 8d; P: 8d; P: 8d; P: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CdPbP₁₄, HgPbP₁₄, HgSnP₁₄, ZnPbP₁₄, ZnSnP₁₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB14C_oP64_62_c_4c5d_c-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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