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Crystal Lab › Prototype structures › Orthorhombic

BiErGeO₅

Orthorhombic · space group Pbca (No. 61) · Pearson oP64

Symmetry elements and Wyckoff positions (interactive)

BiErGeO₅ in Pbca

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 5.314 Å, b = 15.176 Å, c = 10.999 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
887.0 ų
Atoms in the conventional cell
64 (Bi 8, Er 8, Ge 8, O 40)
Formula units Z
8
Pearson symbol
oP64 — orthorhombic, primitive lattice, 64 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Bi1Bi8c80.94700.24000.1520
Er2Er8c80.01200.05200.3600
Ge3Ge8c80.00200.40200.4060
O4O8c80.06300.30200.3350
O5O8c80.29300.43700.4470
O6O8c80.30900.12800.4880
O7O8c80.26500.15000.2370
O8O8c80.36400.48600.1870

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 64 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

ABCD5_oP64_61_c_c_c_5c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP64, then the space-group number 61, then the Wyckoff letters occupied by each element in turn (Bi: 8c; Er: 8c; Ge: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BiYGeO₅, BiYbGeO₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABCD5_oP64_61_c_c_c_5c-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.

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