Ba₅Yb₈Ni₄O₂₁

Unit cell

Lattice constants

a = 13.553 Å, b = 13.553 Å, c = 5.638 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1035.6 ų

Atoms in the conventional cell

76 (Ba 10, O 42, Ni 8, Yb 16)

Formula units Z

2

Pearson symbol

tI76 — tetragonal, body-centred lattice, 76 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 76 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

A5B4C21D8_tI76_87_ah_h_bh2i_2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI76, then the space-group number 87, then the Wyckoff letters occupied by each element in turn (Ba: 2a; O: 2b; Ba: 8h; Ni: 8h; O: 8h; Yb: 8h; Yb: 8h; O: 16i; O: 16i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ba₅Dy₈Zn₄O₂₁, Ba₅Eu₈Zn₄O₂₁, Ba₅Gd₈Mn₄O₂₁, Ba₅Gd₈Zn₄O₂₁, Ba₅Ho₈Mn₄O₂₁, Ba₅Ho₈Zn₄O₂₁, Ba₅Lu₈Ni₄O₂₁, Ba₅Nd₈Mn₄O₂₁, Ba₅Sm₈Mn₄O₂₁, Ba₅Tm₈Ni₄O₂₁ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B4C21D8_tI76_87_ah_h_bh2i_2h-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.