Room Temperature Bi₅PbTi₃O₁₄Cl Bi₅ClO₁₄PbTi₃

Unit cell

Lattice constants

a = 22.411 Å, b = 5.462 Å, c = 5.494 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

672.5 ų

Atoms in the conventional cell

48 (Cl 2, Ti 6, Bi 12, O 28)

Formula units Z

2

Pearson symbol

oP48 — orthorhombic, primitive lattice, 48 atoms per conventional cell

Symmetry operations

4 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 48 atoms drawn above are these sites multiplied by all 4 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

A6BC14D3_oP48_30_3c_a_7c_bc-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP48, then the space-group number 30, then the Wyckoff letters occupied by each element in turn (Cl: 2a; Ti: 2b; Bi: 4c; Bi: 4c; Bi: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; O: 4c; Ti: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Bi₆ClCrO₁₄Ti₂, Bi₆ClFeO₁₄Ti₂, Bi₆ClMnO₁₄Ti₂ <!--beginning with an

Note: RT.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6BC14D3_oP48_30_3c_a_7c_bc-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.