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Model of Austenite Structure (cP32): AB27CD3_cP32_221_a_dij_b_c-001

Cubic · space group Pm-3m (No. 221) · Pearson cP32

Symmetry elements and Wyckoff positions (interactive)

Model of Austenite Structure (cP32): AB27CD3_cP32_221_a_dij_b_c-001 in Pm-3m

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

Unit cell

Lattice constants
a = 7.040 Å, b = 7.040 Å, c = 7.040 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
348.9 ų
Atoms in the conventional cell
32 (Cr 1, Mo 1, Ni 3, Fe 27)
Formula units Z
1
Pearson symbol
cP32 — cubic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
48 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cr1Cr1a10.00000.00000.0000
Mo5Mo1b10.50000.50000.5000
Ni6Ni3c30.00000.50000.5000
Fe2Fe3d30.50000.00000.0000
Fe3Fe12i120.00000.24500.2450
Fe4Fe12j120.50000.26000.2600

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 32 atoms drawn above are these sites multiplied by all 48 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

AB27CD3_cP32_221_a_dij_b_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP32, then the space-group number 221, then the Wyckoff letters occupied by each element in turn (Cr: 1a; Mo: 1b; Ni: 3c; Fe: 3d; Fe: 12i; Fe: 12j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Model Structure.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB27CD3_cP32_221_a_dij_b_c-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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