(CH)₁₇FeO₄Pt Structure ( Revised ): A17BC17D4E_tP320_89_17p_p_17p_4p_il-001

Unit cell

Lattice constants

a = 16.250 Å, b = 16.250 Å, c = 13.381 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

3533.7 ų

Atoms in the conventional cell

320 (Pt 8, C 136, Fe 8, H 136, O 32)

Formula units Z

8

Pearson symbol

tP320 — tetragonal, primitive lattice, 320 atoms per conventional cell

Symmetry operations

8 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 320 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

A17BC17D4E_tP320_89_17p_p_17p_4p_il-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP320, then the space-group number 89, then the Wyckoff letters occupied by each element in turn (Pt: 4i; Pt: 4l; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; C: 8p; Fe: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; H: 8p; O: 8p; O: 8p; O: 8p; O: 8p). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Hydrogen atoms located.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A17BC17D4E_tP320_89_17p_p_17p_4p_il-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.