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Crystal Lab › Prototype structures › Monoclinic

Nd₄Co₃O₁₀

Monoclinic · space group P121/c1 (No. 14) · Pearson mP68

Symmetry elements and Wyckoff positions (interactive)

Nd₄Co₃O₁₀ in P121/c1

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

Unit cell

Lattice constants
a = 27.924 Å, b = 5.455 Å, c = 5.367 Å; α = 90.00°, β = 100.77°, γ = 90.00°
Cell volume
803.2 ų
Atoms in the conventional cell
68 (Co 12, Nd 16, O 40)
Formula units Z
4
Pearson symbol
mP68 — monoclinic, primitive lattice, 68 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Co1Co2a20.00000.00000.0000
Co2Co2b20.50000.00000.0000
Co3Co4e40.85780.99600.8578
Co4Co4e40.35880.00400.8458
Nd5Nd4e40.70030.02200.6963
Nd6Nd4e40.19890.01100.6939
Nd7Nd4e40.56880.01800.5988
Nd8Nd4e40.06680.99500.5918
O9O4e40.50990.28500.7939
O10O4e40.00900.20100.3060
O11O4e40.92910.07800.9401
O12O4e40.42960.06600.9286
O13O4e40.85040.24700.1074
O14O4e40.34570.25400.0867
O15O4e40.78360.93500.8026
O16O4e40.28540.95900.7584
O17O4e40.13200.24700.8830
O18O4e40.63310.26100.9081

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 68 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

A3B4C10_mP68_14_ab2e_4e_10e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP68, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Co: 2a; Co: 2b; Co: 4e; Co: 4e; Nd: 4e; Nd: 4e; Nd: 4e; Nd: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

La₄Co₃O₁₀, La₄Ni₃O₁₀, Nd₄Ni₃O₁₀, Pr₄Ni₃O₁₀ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B4C10_mP68_14_ab2e_4e_10e-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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