ZrFe₄Si₂

Unit cell

Lattice constants

a = 7.004 Å, b = 7.004 Å, c = 3.755 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

184.2 ų

Atoms in the conventional cell

14 (Zr 2, Si 4, Fe 8)

Formula units Z

2

Pearson symbol

tP14 — tetragonal, primitive lattice, 14 atoms per conventional cell

Symmetry operations

16 per cell

Crystallographic sites

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 14 atoms drawn above are these sites multiplied by all 16 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

A4B2C_tP14_136_i_f_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP14, then the space-group number 136, then the Wyckoff letters occupied by each element in turn (Zr: 2a; Si: 4f; Fe: 8i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BaCd₄Pt₂, DyFe₄Ge₂, DyNi₄As₂, ErFe₄Ge₂, ErNi₄P₂, GdNi₄As₂, GdRe₄Si₂, HoFe₄Ge₂, LuFe₄Ge₂, LuNi₄As₂, LuRe₄Si₂, ScFe₄P₂, ScFe₄Si₂, ScNi₄As₂, SmRe₄Si₂, SrCd₄Pt₂, TbRe₄Si₂, TmFe₄Ge₂, TmRe₄Si₂, UMn₄P₂, YFe₄Ge₂, YNi₄As₂, YNi₄P₂, YRe₄Si₂, YbNi₄P₂, ZrFe₄P₂, ZrNi₄As₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B2C_tP14_136_i_f_a-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.