KCa₂Fe₄As₄F₂ Structure (12442-type superconductor): A4B2C2D4E_tI26_139_2e_e_d_g_a-001

Unit cell

Lattice constants

a = 3.868 Å, b = 3.868 Å, c = 31.007 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

464.0 ų

Atoms in the conventional cell

26 (K 2, F 4, As 8, Ca 4, Fe 8)

Formula units Z

2

Pearson symbol

tI26 — tetragonal, body-centred lattice, 26 atoms per conventional cell

Symmetry operations

32 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 26 atoms drawn above are these sites multiplied by all 32 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

A4B2C2D4E_tI26_139_2e_e_d_g_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI26, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (K: 2a; F: 4d; As: 4e; As: 4e; Ca: 4e; Fe: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CsCa₂Fe₄As₄F₂, CsCa₂Fe₄As₄O₂, CsDy₂Fe₄As₄F₂, CsDy₂Fe₄As₄O₂, CsGd₂Fe₄As₄F₂, CsGd₂Fe₄As₄O₂, CsHo₂Fe₄As₄F₂, CsHo₂Fe₄As₄O₂, CsNd₂Fe₄As₄F₂, CsNd₂Fe₄As₄O₂, CsSm₂Fe₄As₄F₂, CsSm₂Fe₄As₄O₂, CsTb₂Fe₄As₄F₂, CsTb₂Fe₄As₄O₂, KCa₂Fe₄As₄O₂, KDy₂Fe₄As₄F₂, KDy₂Fe₄As₄O₂, KGd₂Fe₄As₄F₂, KGd₂Fe₄As₄O₂, KHo₂Fe₄As₄F₂, KHo₂Fe₄As₄O₂, KNd₂Fe₄As₄F₂, KNd₂Fe₄As₄O₂, KSm₂Fe₄As₄F₂, KSm₂Fe₄As₄O₂, KTb₂Fe₄As₄F₂, KTb₂Fe₄As₄O₂, RbCa₂Fe₄As₄F₂, RbCa₂Fe₄As₄O₂, RbDy₂Fe₄As₄F₂, RbDy₂Fe₄As₄O₂, RbGd₂Fe₄As₄F₂, RbGd₂Fe₄As₄O₂, RbHo₂Fe₄As₄F₂, RbHo₂Fe₄As₄O₂, RbNd₂Fe₄As₄F₂, RbNd₂Fe₄As₄O₂, RbSm₂Fe₄As₄F₂, RbSm₂Fe₄As₄O₂, RbTb₂Fe₄As₄F₂, RbTb₂Fe₄As₄O₂

Note: 12442-type s.c..

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B2C2D4E_tI26_139_2e_e_d_g_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.