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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Co1 | Co | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Co2 | Co | 2b | 2 | 0.5000 | 0.0000 | 0.0000 |
| Co3 | Co | 4e | 4 | 0.8578 | 0.9960 | 0.8578 |
| Co4 | Co | 4e | 4 | 0.3588 | 0.0040 | 0.8458 |
| Nd5 | Nd | 4e | 4 | 0.7003 | 0.0220 | 0.6963 |
| Nd6 | Nd | 4e | 4 | 0.1989 | 0.0110 | 0.6939 |
| Nd7 | Nd | 4e | 4 | 0.5688 | 0.0180 | 0.5988 |
| Nd8 | Nd | 4e | 4 | 0.0668 | 0.9950 | 0.5918 |
| O9 | O | 4e | 4 | 0.5099 | 0.2850 | 0.7939 |
| O10 | O | 4e | 4 | 0.0090 | 0.2010 | 0.3060 |
| O11 | O | 4e | 4 | 0.9291 | 0.0780 | 0.9401 |
| O12 | O | 4e | 4 | 0.4296 | 0.0660 | 0.9286 |
| O13 | O | 4e | 4 | 0.8504 | 0.2470 | 0.1074 |
| O14 | O | 4e | 4 | 0.3457 | 0.2540 | 0.0867 |
| O15 | O | 4e | 4 | 0.7836 | 0.9350 | 0.8026 |
| O16 | O | 4e | 4 | 0.2854 | 0.9590 | 0.7584 |
| O17 | O | 4e | 4 | 0.1320 | 0.2470 | 0.8830 |
| O18 | O | 4e | 4 | 0.6331 | 0.2610 | 0.9081 |
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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