Crystal Lab › Frameworks & porous solids
HKUST-1 (Cu-BTC) Cu₃(BTC)₂
Metal–organic framework · space group Fm-3m (No. 225) · Z = 16
Unit cell
- Lattice constants
- a = 26.271 Å, b = 26.271 Å, c = 26.271 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 18131.5 ų
- Atoms in the cell
- 624 (Cu 48, O 192, C 288, H 96)
- Formula units Z
- 16
- Calculated density
- 0.89 g cm⁻³
- Shortest contact
- 0.929 Å
Coordination
- Cu
- CN 4 at 1.93 Å (4 O)
- O
- CN 1 at 1.26 Å (1 C)
- C
- CN 2 at 2.02 Å (1 H + 0.67 O)
- H
- CN 1 at 0.93 Å (1 C)
About the structure
- Copper paddlewheels — two Cu²⁺ bridged by four carboxylates, 2.6 Å apart — are linked by benzene-1,3,5-tricarboxylate into a cubic net with three kinds of cage.
- Each Cu has an open axial site (the water is lost on heating), which is why HKUST-1 binds small molecules and is used for gas storage and catalysis demonstrations.
- Zr-based UiO-66 (the other textbook MOF) is not in the open database in a usable form and is not shown.
- Coordinates from the Crystallography Open Database, entry 4002052 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Cu | 0.2835 | 0.2835 | 0.0000 |
| Cu | 0.7165 | 0.2835 | 0.0000 |
| Cu | 0.7165 | 0.7165 | 0.0000 |
| Cu | 0.2835 | 0.7165 | 0.0000 |
| Cu | 0.2835 | 0.0000 | 0.2835 |
| Cu | 0.2835 | 0.0000 | 0.7165 |
| Cu | 0.0000 | 0.2835 | 0.7165 |
| Cu | 0.0000 | 0.2835 | 0.2835 |
| Cu | 0.7165 | 0.0000 | 0.2835 |
| Cu | 0.0000 | 0.7165 | 0.7165 |
| Cu | 0.7165 | 0.0000 | 0.7165 |
| Cu | 0.0000 | 0.7165 | 0.2835 |
| Cu | 0.2835 | 0.7835 | 0.5000 |
| Cu | 0.7165 | 0.7835 | 0.5000 |
| Cu | 0.7165 | 0.2165 | 0.5000 |
| Cu | 0.2835 | 0.2165 | 0.5000 |
| Cu | 0.2835 | 0.5000 | 0.7835 |
| Cu | 0.2835 | 0.5000 | 0.2165 |
| Cu | 0.0000 | 0.7835 | 0.2165 |
| Cu | 0.0000 | 0.7835 | 0.7835 |
| Cu | 0.7165 | 0.5000 | 0.7835 |
| Cu | 0.0000 | 0.2165 | 0.2165 |
| Cu | 0.7165 | 0.5000 | 0.2165 |
| Cu | 0.0000 | 0.2165 | 0.7835 |
| Cu | 0.7835 | 0.2835 | 0.5000 |
| Cu | 0.2165 | 0.2835 | 0.5000 |
| Cu | 0.2165 | 0.7165 | 0.5000 |
| Cu | 0.7835 | 0.7165 | 0.5000 |
| Cu | 0.7835 | 0.0000 | 0.7835 |
| Cu | 0.7835 | 0.0000 | 0.2165 |
| Cu | 0.5000 | 0.2835 | 0.2165 |
| Cu | 0.5000 | 0.2835 | 0.7835 |
| Cu | 0.2165 | 0.0000 | 0.7835 |
| Cu | 0.5000 | 0.7165 | 0.2165 |
| Cu | 0.2165 | 0.0000 | 0.2165 |
| Cu | 0.5000 | 0.7165 | 0.7835 |
| Cu | 0.7835 | 0.7835 | 0.0000 |
| Cu | 0.2165 | 0.7835 | 0.0000 |
| Cu | 0.2165 | 0.2165 | 0.0000 |
| Cu | 0.7835 | 0.2165 | 0.0000 |
| Cu | 0.7835 | 0.5000 | 0.2835 |
| Cu | 0.7835 | 0.5000 | 0.7165 |
| Cu | 0.5000 | 0.7835 | 0.7165 |
| Cu | 0.5000 | 0.7835 | 0.2835 |
| Cu | 0.2165 | 0.5000 | 0.2835 |
| Cu | 0.5000 | 0.2165 | 0.7165 |
| Cu | 0.2165 | 0.5000 | 0.7165 |
| Cu | 0.5000 | 0.2165 | 0.2835 |
| O | 0.2437 | 0.3166 | 0.0523 |
| O | 0.6834 | 0.2437 | 0.0523 |
| O | 0.7563 | 0.6834 | 0.0523 |
| O | 0.3166 | 0.7563 | 0.0523 |
| O | 0.2437 | 0.9477 | 0.3166 |
| O | 0.2437 | 0.6834 | 0.9477 |
| O | 0.2437 | 0.0523 | 0.6834 |
| O | 0.0523 | 0.3166 | 0.7563 |
| O | 0.7563 | 0.3166 | 0.9477 |
| O | 0.9477 | 0.3166 | 0.2437 |
| O | 0.0523 | 0.2437 | 0.3166 |
| O | 0.3166 | 0.0523 | 0.2437 |
| O | 0.6834 | 0.9477 | 0.2437 |
| O | 0.0523 | 0.7563 | 0.6834 |
| O | 0.6834 | 0.0523 | 0.7563 |
| O | 0.9477 | 0.7563 | 0.3166 |
| O | 0.9477 | 0.2437 | 0.6834 |
| O | 0.3166 | 0.9477 | 0.7563 |
| O | 0.3166 | 0.2437 | 0.9477 |
| O | 0.6834 | 0.7563 | 0.9477 |
| O | 0.7563 | 0.0523 | 0.3166 |
| O | 0.7563 | 0.9477 | 0.6834 |
| O | 0.0523 | 0.6834 | 0.2437 |
| O | 0.9477 | 0.6834 | 0.7563 |
| O | 0.2437 | 0.8166 | 0.5523 |
| O | 0.6834 | 0.7437 | 0.5523 |
| O | 0.7563 | 0.1834 | 0.5523 |
| O | 0.3166 | 0.2563 | 0.5523 |
| O | 0.2437 | 0.4477 | 0.8166 |
| O | 0.2437 | 0.1834 | 0.4477 |
| O | 0.2437 | 0.5523 | 0.1834 |
| O | 0.0523 | 0.8166 | 0.2563 |
| O | 0.7563 | 0.8166 | 0.4477 |
| O | 0.9477 | 0.8166 | 0.7437 |
| O | 0.0523 | 0.7437 | 0.8166 |
| O | 0.3166 | 0.5523 | 0.7437 |
| O | 0.6834 | 0.4477 | 0.7437 |
| O | 0.0523 | 0.2563 | 0.1834 |
| O | 0.6834 | 0.5523 | 0.2563 |
| O | 0.9477 | 0.2563 | 0.8166 |
| O | 0.9477 | 0.7437 | 0.1834 |
| O | 0.3166 | 0.4477 | 0.2563 |
| O | 0.3166 | 0.7437 | 0.4477 |
| O | 0.6834 | 0.2563 | 0.4477 |
| O | 0.7563 | 0.5523 | 0.8166 |
| O | 0.7563 | 0.4477 | 0.1834 |
| O | 0.0523 | 0.1834 | 0.7437 |
| O | 0.9477 | 0.1834 | 0.2563 |
| O | 0.7437 | 0.3166 | 0.5523 |
| O | 0.1834 | 0.2437 | 0.5523 |
| O | 0.2563 | 0.6834 | 0.5523 |
| O | 0.8166 | 0.7563 | 0.5523 |
| O | 0.7437 | 0.9477 | 0.8166 |
| O | 0.7437 | 0.6834 | 0.4477 |
| O | 0.7437 | 0.0523 | 0.1834 |
| O | 0.5523 | 0.3166 | 0.2563 |
| O | 0.2563 | 0.3166 | 0.4477 |
| O | 0.4477 | 0.3166 | 0.7437 |
| O | 0.5523 | 0.2437 | 0.8166 |
| O | 0.8166 | 0.0523 | 0.7437 |
| O | 0.1834 | 0.9477 | 0.7437 |
| O | 0.5523 | 0.7563 | 0.1834 |
| O | 0.1834 | 0.0523 | 0.2563 |
| O | 0.4477 | 0.7563 | 0.8166 |
| O | 0.4477 | 0.2437 | 0.1834 |
| O | 0.8166 | 0.9477 | 0.2563 |
| O | 0.8166 | 0.2437 | 0.4477 |
| O | 0.1834 | 0.7563 | 0.4477 |
| O | 0.2563 | 0.0523 | 0.8166 |
| O | 0.2563 | 0.9477 | 0.1834 |
| O | 0.5523 | 0.6834 | 0.7437 |
| O | 0.4477 | 0.6834 | 0.2563 |
| O | 0.7437 | 0.8166 | 0.0523 |
| O | 0.1834 | 0.7437 | 0.0523 |
| O | 0.2563 | 0.1834 | 0.0523 |
| O | 0.8166 | 0.2563 | 0.0523 |
| O | 0.7437 | 0.4477 | 0.3166 |
| O | 0.7437 | 0.1834 | 0.9477 |
| O | 0.7437 | 0.5523 | 0.6834 |
| O | 0.5523 | 0.8166 | 0.7563 |
| O | 0.2563 | 0.8166 | 0.9477 |
| O | 0.4477 | 0.8166 | 0.2437 |
| O | 0.5523 | 0.7437 | 0.3166 |
| O | 0.8166 | 0.5523 | 0.2437 |
| O | 0.1834 | 0.4477 | 0.2437 |
| O | 0.5523 | 0.2563 | 0.6834 |
| O | 0.1834 | 0.5523 | 0.7563 |
| O | 0.4477 | 0.2563 | 0.3166 |
| O | 0.4477 | 0.7437 | 0.6834 |
| O | 0.8166 | 0.4477 | 0.7563 |
| O | 0.8166 | 0.7437 | 0.9477 |
| O | 0.1834 | 0.2563 | 0.9477 |
| O | 0.2563 | 0.5523 | 0.3166 |
| O | 0.2563 | 0.4477 | 0.6834 |
| O | 0.5523 | 0.1834 | 0.2437 |
| O | 0.4477 | 0.1834 | 0.7563 |
| O | 0.7563 | 0.6834 | 0.9477 |
| O | 0.3166 | 0.7563 | 0.9477 |
| O | 0.2437 | 0.3166 | 0.9477 |
| O | 0.6834 | 0.2437 | 0.9477 |
| O | 0.7563 | 0.0523 | 0.6834 |
| O | 0.7563 | 0.3166 | 0.0523 |
| O | 0.7563 | 0.9477 | 0.3166 |
| O | 0.9477 | 0.6834 | 0.2437 |
| O | 0.2437 | 0.6834 | 0.0523 |
| O | 0.0523 | 0.6834 | 0.7563 |
| O | 0.9477 | 0.7563 | 0.6834 |
| O | 0.6834 | 0.9477 | 0.7563 |
| O | 0.3166 | 0.0523 | 0.7563 |
| O | 0.9477 | 0.2437 | 0.3166 |
| O | 0.3166 | 0.9477 | 0.2437 |
| O | 0.0523 | 0.2437 | 0.6834 |
| O | 0.0523 | 0.7563 | 0.3166 |
| O | 0.6834 | 0.0523 | 0.2437 |
| O | 0.6834 | 0.7563 | 0.0523 |
| O | 0.3166 | 0.2437 | 0.0523 |
| O | 0.2437 | 0.9477 | 0.6834 |
| O | 0.2437 | 0.0523 | 0.3166 |
| O | 0.9477 | 0.3166 | 0.7563 |
| O | 0.0523 | 0.3166 | 0.2437 |
| O | 0.7563 | 0.1834 | 0.4477 |
| O | 0.3166 | 0.2563 | 0.4477 |
| O | 0.2437 | 0.8166 | 0.4477 |
| O | 0.6834 | 0.7437 | 0.4477 |
| O | 0.7563 | 0.5523 | 0.1834 |
| O | 0.7563 | 0.8166 | 0.5523 |
| O | 0.7563 | 0.4477 | 0.8166 |
| O | 0.9477 | 0.1834 | 0.7437 |
| O | 0.2437 | 0.1834 | 0.5523 |
| O | 0.0523 | 0.1834 | 0.2563 |
| O | 0.9477 | 0.2563 | 0.1834 |
| O | 0.6834 | 0.4477 | 0.2563 |
| O | 0.3166 | 0.5523 | 0.2563 |
| O | 0.9477 | 0.7437 | 0.8166 |
| O | 0.3166 | 0.4477 | 0.7437 |
| O | 0.0523 | 0.7437 | 0.1834 |
| O | 0.0523 | 0.2563 | 0.8166 |
| O | 0.6834 | 0.5523 | 0.7437 |
| O | 0.6834 | 0.2563 | 0.5523 |
| O | 0.3166 | 0.7437 | 0.5523 |
| O | 0.2437 | 0.4477 | 0.1834 |
| O | 0.2437 | 0.5523 | 0.8166 |
| O | 0.9477 | 0.8166 | 0.2563 |
| O | 0.0523 | 0.8166 | 0.7437 |
| O | 0.2563 | 0.6834 | 0.4477 |
| O | 0.8166 | 0.7563 | 0.4477 |
| O | 0.7437 | 0.3166 | 0.4477 |
| O | 0.1834 | 0.2437 | 0.4477 |
| O | 0.2563 | 0.0523 | 0.1834 |
| O | 0.2563 | 0.3166 | 0.5523 |
| O | 0.2563 | 0.9477 | 0.8166 |
| O | 0.4477 | 0.6834 | 0.7437 |
| O | 0.7437 | 0.6834 | 0.5523 |
| O | 0.5523 | 0.6834 | 0.2563 |
| O | 0.4477 | 0.7563 | 0.1834 |
| O | 0.1834 | 0.9477 | 0.2563 |
| O | 0.8166 | 0.0523 | 0.2563 |
| O | 0.4477 | 0.2437 | 0.8166 |
| O | 0.8166 | 0.9477 | 0.7437 |
| O | 0.5523 | 0.2437 | 0.1834 |
| O | 0.5523 | 0.7563 | 0.8166 |
| O | 0.1834 | 0.0523 | 0.7437 |
| O | 0.1834 | 0.7563 | 0.5523 |
| O | 0.8166 | 0.2437 | 0.5523 |
| O | 0.7437 | 0.9477 | 0.1834 |
| O | 0.7437 | 0.0523 | 0.8166 |
| O | 0.4477 | 0.3166 | 0.2563 |
| O | 0.5523 | 0.3166 | 0.7437 |
| O | 0.2563 | 0.1834 | 0.9477 |
| O | 0.8166 | 0.2563 | 0.9477 |
| O | 0.7437 | 0.8166 | 0.9477 |
| O | 0.1834 | 0.7437 | 0.9477 |
| O | 0.2563 | 0.5523 | 0.6834 |
| O | 0.2563 | 0.8166 | 0.0523 |
| O | 0.2563 | 0.4477 | 0.3166 |
| O | 0.4477 | 0.1834 | 0.2437 |
| O | 0.7437 | 0.1834 | 0.0523 |
| O | 0.5523 | 0.1834 | 0.7563 |
| O | 0.4477 | 0.2563 | 0.6834 |
| O | 0.1834 | 0.4477 | 0.7563 |
| O | 0.8166 | 0.5523 | 0.7563 |
| O | 0.4477 | 0.7437 | 0.3166 |
| O | 0.8166 | 0.4477 | 0.2437 |
| O | 0.5523 | 0.7437 | 0.6834 |
| O | 0.5523 | 0.2563 | 0.3166 |
| O | 0.1834 | 0.5523 | 0.2437 |
| O | 0.1834 | 0.2563 | 0.0523 |
| O | 0.8166 | 0.7437 | 0.0523 |
| O | 0.7437 | 0.4477 | 0.6834 |
| O | 0.7437 | 0.5523 | 0.3166 |
| O | 0.4477 | 0.8166 | 0.7563 |
| O | 0.5523 | 0.8166 | 0.2437 |
| C | 0.1786 | 0.3214 | 0.1137 |
| C | 0.6786 | 0.1786 | 0.1137 |
| C | 0.8214 | 0.6786 | 0.1137 |
| C | 0.3214 | 0.8214 | 0.1137 |
| C | 0.1786 | 0.8863 | 0.3214 |
| C | 0.1786 | 0.6786 | 0.8863 |
| C | 0.1786 | 0.1137 | 0.6786 |
| C | 0.1137 | 0.3214 | 0.8214 |
| C | 0.8214 | 0.3214 | 0.8863 |
| C | 0.8863 | 0.3214 | 0.1786 |
| C | 0.1137 | 0.1786 | 0.3214 |
| C | 0.3214 | 0.1137 | 0.1786 |
| C | 0.6786 | 0.8863 | 0.1786 |
| C | 0.1137 | 0.8214 | 0.6786 |
| C | 0.6786 | 0.1137 | 0.8214 |
| C | 0.8863 | 0.8214 | 0.3214 |
| C | 0.8863 | 0.1786 | 0.6786 |
| C | 0.3214 | 0.8863 | 0.8214 |
| C | 0.3214 | 0.1786 | 0.8863 |
| C | 0.6786 | 0.8214 | 0.8863 |
| C | 0.8214 | 0.1137 | 0.3214 |
| C | 0.8214 | 0.8863 | 0.6786 |
| C | 0.1137 | 0.6786 | 0.1786 |
| C | 0.8863 | 0.6786 | 0.8214 |
| C | 0.1786 | 0.8214 | 0.6137 |
| C | 0.6786 | 0.6786 | 0.6137 |
| C | 0.8214 | 0.1786 | 0.6137 |
| C | 0.3214 | 0.3214 | 0.6137 |
| C | 0.1786 | 0.3863 | 0.8214 |
| C | 0.1786 | 0.1786 | 0.3863 |
| C | 0.1786 | 0.6137 | 0.1786 |
| C | 0.1137 | 0.8214 | 0.3214 |
| C | 0.8214 | 0.8214 | 0.3863 |
| C | 0.8863 | 0.8214 | 0.6786 |
| C | 0.1137 | 0.6786 | 0.8214 |
| C | 0.3214 | 0.6137 | 0.6786 |
| C | 0.6786 | 0.3863 | 0.6786 |
| C | 0.1137 | 0.3214 | 0.1786 |
| C | 0.6786 | 0.6137 | 0.3214 |
| C | 0.8863 | 0.3214 | 0.8214 |
| C | 0.8863 | 0.6786 | 0.1786 |
| C | 0.3214 | 0.3863 | 0.3214 |
| C | 0.3214 | 0.6786 | 0.3863 |
| C | 0.6786 | 0.3214 | 0.3863 |
| C | 0.8214 | 0.6137 | 0.8214 |
| C | 0.8214 | 0.3863 | 0.1786 |
| C | 0.1137 | 0.1786 | 0.6786 |
| C | 0.8863 | 0.1786 | 0.3214 |
| C | 0.6786 | 0.3214 | 0.6137 |
| C | 0.1786 | 0.1786 | 0.6137 |
| C | 0.3214 | 0.6786 | 0.6137 |
| C | 0.8214 | 0.8214 | 0.6137 |
| C | 0.6786 | 0.8863 | 0.8214 |
| C | 0.6786 | 0.6786 | 0.3863 |
| C | 0.6786 | 0.1137 | 0.1786 |
| C | 0.6137 | 0.3214 | 0.3214 |
| C | 0.3214 | 0.3214 | 0.3863 |
| C | 0.3863 | 0.3214 | 0.6786 |
| C | 0.6137 | 0.1786 | 0.8214 |
| C | 0.8214 | 0.1137 | 0.6786 |
| C | 0.1786 | 0.8863 | 0.6786 |
| C | 0.6137 | 0.8214 | 0.1786 |
| C | 0.1786 | 0.1137 | 0.3214 |
| C | 0.3863 | 0.8214 | 0.8214 |
| C | 0.3863 | 0.1786 | 0.1786 |
| C | 0.8214 | 0.8863 | 0.3214 |
| C | 0.8214 | 0.1786 | 0.3863 |
| C | 0.1786 | 0.8214 | 0.3863 |
| C | 0.3214 | 0.1137 | 0.8214 |
| C | 0.3214 | 0.8863 | 0.1786 |
| C | 0.6137 | 0.6786 | 0.6786 |
| C | 0.3863 | 0.6786 | 0.3214 |
| C | 0.6786 | 0.8214 | 0.1137 |
| C | 0.1786 | 0.6786 | 0.1137 |
| C | 0.3214 | 0.1786 | 0.1137 |
| C | 0.8214 | 0.3214 | 0.1137 |
| C | 0.6786 | 0.3863 | 0.3214 |
| C | 0.6786 | 0.1786 | 0.8863 |
| C | 0.6786 | 0.6137 | 0.6786 |
| C | 0.6137 | 0.8214 | 0.8214 |
| C | 0.3214 | 0.8214 | 0.8863 |
| C | 0.3863 | 0.8214 | 0.1786 |
| C | 0.6137 | 0.6786 | 0.3214 |
| C | 0.8214 | 0.6137 | 0.1786 |
| C | 0.1786 | 0.3863 | 0.1786 |
| C | 0.6137 | 0.3214 | 0.6786 |
| C | 0.1786 | 0.6137 | 0.8214 |
| C | 0.3863 | 0.3214 | 0.3214 |
| C | 0.3863 | 0.6786 | 0.6786 |
| C | 0.8214 | 0.3863 | 0.8214 |
| C | 0.8214 | 0.6786 | 0.8863 |
| C | 0.1786 | 0.3214 | 0.8863 |
| C | 0.3214 | 0.6137 | 0.3214 |
| C | 0.3214 | 0.3863 | 0.6786 |
| C | 0.6137 | 0.1786 | 0.1786 |
| C | 0.3863 | 0.1786 | 0.8214 |
| C | 0.2036 | 0.2964 | 0.0691 |
| C | 0.7036 | 0.2036 | 0.0691 |
| C | 0.7964 | 0.7036 | 0.0691 |
| C | 0.2964 | 0.7964 | 0.0691 |
| C | 0.2036 | 0.9309 | 0.2964 |
| C | 0.2036 | 0.7036 | 0.9309 |
| C | 0.2036 | 0.0691 | 0.7036 |
| C | 0.0691 | 0.2964 | 0.7964 |
| C | 0.7964 | 0.2964 | 0.9309 |
| C | 0.9309 | 0.2964 | 0.2036 |
| C | 0.0691 | 0.2036 | 0.2964 |
| C | 0.2964 | 0.0691 | 0.2036 |
| C | 0.7036 | 0.9309 | 0.2036 |
| C | 0.0691 | 0.7964 | 0.7036 |
| C | 0.7036 | 0.0691 | 0.7964 |
| C | 0.9309 | 0.7964 | 0.2964 |
| C | 0.9309 | 0.2036 | 0.7036 |
| C | 0.2964 | 0.9309 | 0.7964 |
| C | 0.2964 | 0.2036 | 0.9309 |
| C | 0.7036 | 0.7964 | 0.9309 |
| C | 0.7964 | 0.0691 | 0.2964 |
| C | 0.7964 | 0.9309 | 0.7036 |
| C | 0.0691 | 0.7036 | 0.2036 |
| C | 0.9309 | 0.7036 | 0.7964 |
| C | 0.2036 | 0.7964 | 0.5691 |
| C | 0.7036 | 0.7036 | 0.5691 |
| C | 0.7964 | 0.2036 | 0.5691 |
| C | 0.2964 | 0.2964 | 0.5691 |
| C | 0.2036 | 0.4309 | 0.7964 |
| C | 0.2036 | 0.2036 | 0.4309 |
| C | 0.2036 | 0.5691 | 0.2036 |
| C | 0.0691 | 0.7964 | 0.2964 |
| C | 0.7964 | 0.7964 | 0.4309 |
| C | 0.9309 | 0.7964 | 0.7036 |
| C | 0.0691 | 0.7036 | 0.7964 |
| C | 0.2964 | 0.5691 | 0.7036 |
| C | 0.7036 | 0.4309 | 0.7036 |
| C | 0.0691 | 0.2964 | 0.2036 |
| C | 0.7036 | 0.5691 | 0.2964 |
| C | 0.9309 | 0.2964 | 0.7964 |
| C | 0.9309 | 0.7036 | 0.2036 |
| C | 0.2964 | 0.4309 | 0.2964 |
| C | 0.2964 | 0.7036 | 0.4309 |
| C | 0.7036 | 0.2964 | 0.4309 |
| C | 0.7964 | 0.5691 | 0.7964 |
| C | 0.7964 | 0.4309 | 0.2036 |
| C | 0.0691 | 0.2036 | 0.7036 |
| C | 0.9309 | 0.2036 | 0.2964 |
| C | 0.7036 | 0.2964 | 0.5691 |
| C | 0.2036 | 0.2036 | 0.5691 |
| C | 0.2964 | 0.7036 | 0.5691 |
| C | 0.7964 | 0.7964 | 0.5691 |
| C | 0.7036 | 0.9309 | 0.7964 |
| C | 0.7036 | 0.7036 | 0.4309 |
| C | 0.7036 | 0.0691 | 0.2036 |
| C | 0.5691 | 0.2964 | 0.2964 |
| C | 0.2964 | 0.2964 | 0.4309 |
| C | 0.4309 | 0.2964 | 0.7036 |
| C | 0.5691 | 0.2036 | 0.7964 |
| C | 0.7964 | 0.0691 | 0.7036 |
| C | 0.2036 | 0.9309 | 0.7036 |
| C | 0.5691 | 0.7964 | 0.2036 |
| C | 0.2036 | 0.0691 | 0.2964 |
| C | 0.4309 | 0.7964 | 0.7964 |
| C | 0.4309 | 0.2036 | 0.2036 |
| C | 0.7964 | 0.9309 | 0.2964 |
| C | 0.7964 | 0.2036 | 0.4309 |
| C | 0.2036 | 0.7964 | 0.4309 |
| C | 0.2964 | 0.0691 | 0.7964 |
| C | 0.2964 | 0.9309 | 0.2036 |
| C | 0.5691 | 0.7036 | 0.7036 |
| C | 0.4309 | 0.7036 | 0.2964 |
| C | 0.7036 | 0.7964 | 0.0691 |
| C | 0.2036 | 0.7036 | 0.0691 |
| C | 0.2964 | 0.2036 | 0.0691 |
| C | 0.7964 | 0.2964 | 0.0691 |
| C | 0.7036 | 0.4309 | 0.2964 |
| C | 0.7036 | 0.2036 | 0.9309 |
| C | 0.7036 | 0.5691 | 0.7036 |
| C | 0.5691 | 0.7964 | 0.7964 |
| C | 0.2964 | 0.7964 | 0.9309 |
| C | 0.4309 | 0.7964 | 0.2036 |
| C | 0.5691 | 0.7036 | 0.2964 |
| C | 0.7964 | 0.5691 | 0.2036 |
| C | 0.2036 | 0.4309 | 0.2036 |
| C | 0.5691 | 0.2964 | 0.7036 |
| C | 0.2036 | 0.5691 | 0.7964 |
| C | 0.4309 | 0.2964 | 0.2964 |
| C | 0.4309 | 0.7036 | 0.7036 |
| C | 0.7964 | 0.4309 | 0.7964 |
| C | 0.7964 | 0.7036 | 0.9309 |
| C | 0.2036 | 0.2964 | 0.9309 |
| C | 0.2964 | 0.5691 | 0.2964 |
| C | 0.2964 | 0.4309 | 0.7036 |
| C | 0.5691 | 0.2036 | 0.2036 |
| C | 0.4309 | 0.2036 | 0.7964 |
| C | 0.1353 | 0.3000 | 0.1353 |
| C | 0.7000 | 0.1353 | 0.1353 |
| C | 0.8647 | 0.7000 | 0.1353 |
| C | 0.3000 | 0.8647 | 0.1353 |
| C | 0.1353 | 0.8647 | 0.3000 |
| C | 0.1353 | 0.7000 | 0.8647 |
| C | 0.1353 | 0.1353 | 0.7000 |
| C | 0.1353 | 0.3000 | 0.8647 |
| C | 0.8647 | 0.3000 | 0.8647 |
| C | 0.8647 | 0.3000 | 0.1353 |
| C | 0.1353 | 0.1353 | 0.3000 |
| C | 0.3000 | 0.1353 | 0.1353 |
| C | 0.7000 | 0.8647 | 0.1353 |
| C | 0.1353 | 0.8647 | 0.7000 |
| C | 0.7000 | 0.1353 | 0.8647 |
| C | 0.8647 | 0.8647 | 0.3000 |
| C | 0.8647 | 0.1353 | 0.7000 |
| C | 0.3000 | 0.8647 | 0.8647 |
| C | 0.3000 | 0.1353 | 0.8647 |
| C | 0.7000 | 0.8647 | 0.8647 |
| C | 0.8647 | 0.1353 | 0.3000 |
| C | 0.8647 | 0.8647 | 0.7000 |
| C | 0.1353 | 0.7000 | 0.1353 |
| C | 0.8647 | 0.7000 | 0.8647 |
| C | 0.1353 | 0.8000 | 0.6353 |
| C | 0.7000 | 0.6353 | 0.6353 |
| C | 0.8647 | 0.2000 | 0.6353 |
| C | 0.3000 | 0.3647 | 0.6353 |
| C | 0.1353 | 0.3647 | 0.8000 |
| C | 0.1353 | 0.2000 | 0.3647 |
| C | 0.1353 | 0.6353 | 0.2000 |
| C | 0.1353 | 0.8000 | 0.3647 |
| C | 0.8647 | 0.8000 | 0.3647 |
| C | 0.8647 | 0.8000 | 0.6353 |
| C | 0.1353 | 0.6353 | 0.8000 |
| C | 0.3000 | 0.6353 | 0.6353 |
| C | 0.7000 | 0.3647 | 0.6353 |
| C | 0.1353 | 0.3647 | 0.2000 |
| C | 0.7000 | 0.6353 | 0.3647 |
| C | 0.8647 | 0.3647 | 0.8000 |
| C | 0.8647 | 0.6353 | 0.2000 |
| C | 0.3000 | 0.3647 | 0.3647 |
| C | 0.3000 | 0.6353 | 0.3647 |
| C | 0.7000 | 0.3647 | 0.3647 |
| C | 0.8647 | 0.6353 | 0.8000 |
| C | 0.8647 | 0.3647 | 0.2000 |
| C | 0.1353 | 0.2000 | 0.6353 |
| C | 0.8647 | 0.2000 | 0.3647 |
| C | 0.6353 | 0.3000 | 0.6353 |
| C | 0.2000 | 0.1353 | 0.6353 |
| C | 0.3647 | 0.7000 | 0.6353 |
| C | 0.8000 | 0.8647 | 0.6353 |
| C | 0.6353 | 0.8647 | 0.8000 |
| C | 0.6353 | 0.7000 | 0.3647 |
| C | 0.6353 | 0.1353 | 0.2000 |
| C | 0.6353 | 0.3000 | 0.3647 |
| C | 0.3647 | 0.3000 | 0.3647 |
| C | 0.3647 | 0.3000 | 0.6353 |
| C | 0.6353 | 0.1353 | 0.8000 |
| C | 0.8000 | 0.1353 | 0.6353 |
| C | 0.2000 | 0.8647 | 0.6353 |
| C | 0.6353 | 0.8647 | 0.2000 |
| C | 0.2000 | 0.1353 | 0.3647 |
| C | 0.3647 | 0.8647 | 0.8000 |
| C | 0.3647 | 0.1353 | 0.2000 |
| C | 0.8000 | 0.8647 | 0.3647 |
| C | 0.8000 | 0.1353 | 0.3647 |
| C | 0.2000 | 0.8647 | 0.3647 |
| C | 0.3647 | 0.1353 | 0.8000 |
| C | 0.3647 | 0.8647 | 0.2000 |
| C | 0.6353 | 0.7000 | 0.6353 |
| C | 0.3647 | 0.7000 | 0.3647 |
| C | 0.6353 | 0.8000 | 0.1353 |
| C | 0.2000 | 0.6353 | 0.1353 |
| C | 0.3647 | 0.2000 | 0.1353 |
| C | 0.8000 | 0.3647 | 0.1353 |
| C | 0.6353 | 0.3647 | 0.3000 |
| C | 0.6353 | 0.2000 | 0.8647 |
| C | 0.6353 | 0.6353 | 0.7000 |
| C | 0.6353 | 0.8000 | 0.8647 |
| C | 0.3647 | 0.8000 | 0.8647 |
| C | 0.3647 | 0.8000 | 0.1353 |
| C | 0.6353 | 0.6353 | 0.3000 |
| C | 0.8000 | 0.6353 | 0.1353 |
| C | 0.2000 | 0.3647 | 0.1353 |
| C | 0.6353 | 0.3647 | 0.7000 |
| C | 0.2000 | 0.6353 | 0.8647 |
| C | 0.3647 | 0.3647 | 0.3000 |
| C | 0.3647 | 0.6353 | 0.7000 |
| C | 0.8000 | 0.3647 | 0.8647 |
| C | 0.8000 | 0.6353 | 0.8647 |
| C | 0.2000 | 0.3647 | 0.8647 |
| C | 0.3647 | 0.6353 | 0.3000 |
| C | 0.3647 | 0.3647 | 0.7000 |
| C | 0.6353 | 0.2000 | 0.1353 |
| C | 0.3647 | 0.2000 | 0.8647 |
| H | 0.1208 | 0.2712 | 0.1208 |
| H | 0.7288 | 0.1208 | 0.1208 |
| H | 0.8792 | 0.7288 | 0.1208 |
| H | 0.2712 | 0.8792 | 0.1208 |
| H | 0.1208 | 0.8792 | 0.2712 |
| H | 0.1208 | 0.7288 | 0.8792 |
| H | 0.1208 | 0.1208 | 0.7288 |
| H | 0.1208 | 0.2712 | 0.8792 |
| H | 0.8792 | 0.2712 | 0.8792 |
| H | 0.8792 | 0.2712 | 0.1208 |
| H | 0.1208 | 0.1208 | 0.2712 |
| H | 0.2712 | 0.1208 | 0.1208 |
| H | 0.7288 | 0.8792 | 0.1208 |
| H | 0.1208 | 0.8792 | 0.7288 |
| H | 0.7288 | 0.1208 | 0.8792 |
| H | 0.8792 | 0.8792 | 0.2712 |
| H | 0.8792 | 0.1208 | 0.7288 |
| H | 0.2712 | 0.8792 | 0.8792 |
| H | 0.2712 | 0.1208 | 0.8792 |
| H | 0.7288 | 0.8792 | 0.8792 |
| H | 0.8792 | 0.1208 | 0.2712 |
| H | 0.8792 | 0.8792 | 0.7288 |
| H | 0.1208 | 0.7288 | 0.1208 |
| H | 0.8792 | 0.7288 | 0.8792 |
| H | 0.1208 | 0.7712 | 0.6208 |
| H | 0.7288 | 0.6208 | 0.6208 |
| H | 0.8792 | 0.2288 | 0.6208 |
| H | 0.2712 | 0.3792 | 0.6208 |
| H | 0.1208 | 0.3792 | 0.7712 |
| H | 0.1208 | 0.2288 | 0.3792 |
| H | 0.1208 | 0.6208 | 0.2288 |
| H | 0.1208 | 0.7712 | 0.3792 |
| H | 0.8792 | 0.7712 | 0.3792 |
| H | 0.8792 | 0.7712 | 0.6208 |
| H | 0.1208 | 0.6208 | 0.7712 |
| H | 0.2712 | 0.6208 | 0.6208 |
| H | 0.7288 | 0.3792 | 0.6208 |
| H | 0.1208 | 0.3792 | 0.2288 |
| H | 0.7288 | 0.6208 | 0.3792 |
| H | 0.8792 | 0.3792 | 0.7712 |
| H | 0.8792 | 0.6208 | 0.2288 |
| H | 0.2712 | 0.3792 | 0.3792 |
| H | 0.2712 | 0.6208 | 0.3792 |
| H | 0.7288 | 0.3792 | 0.3792 |
| H | 0.8792 | 0.6208 | 0.7712 |
| H | 0.8792 | 0.3792 | 0.2288 |
| H | 0.1208 | 0.2288 | 0.6208 |
| H | 0.8792 | 0.2288 | 0.3792 |
| H | 0.6208 | 0.2712 | 0.6208 |
| H | 0.2288 | 0.1208 | 0.6208 |
| H | 0.3792 | 0.7288 | 0.6208 |
| H | 0.7712 | 0.8792 | 0.6208 |
| H | 0.6208 | 0.8792 | 0.7712 |
| H | 0.6208 | 0.7288 | 0.3792 |
| H | 0.6208 | 0.1208 | 0.2288 |
| H | 0.6208 | 0.2712 | 0.3792 |
| H | 0.3792 | 0.2712 | 0.3792 |
| H | 0.3792 | 0.2712 | 0.6208 |
| H | 0.6208 | 0.1208 | 0.7712 |
| H | 0.7712 | 0.1208 | 0.6208 |
| H | 0.2288 | 0.8792 | 0.6208 |
| H | 0.6208 | 0.8792 | 0.2288 |
| H | 0.2288 | 0.1208 | 0.3792 |
| H | 0.3792 | 0.8792 | 0.7712 |
| H | 0.3792 | 0.1208 | 0.2288 |
| H | 0.7712 | 0.8792 | 0.3792 |
| H | 0.7712 | 0.1208 | 0.3792 |
| H | 0.2288 | 0.8792 | 0.3792 |
| H | 0.3792 | 0.1208 | 0.7712 |
| H | 0.3792 | 0.8792 | 0.2288 |
| H | 0.6208 | 0.7288 | 0.6208 |
| H | 0.3792 | 0.7288 | 0.3792 |
| H | 0.6208 | 0.7712 | 0.1208 |
| H | 0.2288 | 0.6208 | 0.1208 |
| H | 0.3792 | 0.2288 | 0.1208 |
| H | 0.7712 | 0.3792 | 0.1208 |
| H | 0.6208 | 0.3792 | 0.2712 |
| H | 0.6208 | 0.2288 | 0.8792 |
| H | 0.6208 | 0.6208 | 0.7288 |
| H | 0.6208 | 0.7712 | 0.8792 |
| H | 0.3792 | 0.7712 | 0.8792 |
| H | 0.3792 | 0.7712 | 0.1208 |
| H | 0.6208 | 0.6208 | 0.2712 |
| H | 0.7712 | 0.6208 | 0.1208 |
| H | 0.2288 | 0.3792 | 0.1208 |
| H | 0.6208 | 0.3792 | 0.7288 |
| H | 0.2288 | 0.6208 | 0.8792 |
| H | 0.3792 | 0.3792 | 0.2712 |
| H | 0.3792 | 0.6208 | 0.7288 |
| H | 0.7712 | 0.3792 | 0.8792 |
| H | 0.7712 | 0.6208 | 0.8792 |
| H | 0.2288 | 0.3792 | 0.8792 |
| H | 0.3792 | 0.6208 | 0.2712 |
| H | 0.3792 | 0.3792 | 0.7288 |
| H | 0.6208 | 0.2288 | 0.1208 |
| H | 0.3792 | 0.2288 | 0.8792 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.