Information card for entry 1008728

Structure parameters

• Chemical name: Deuterium copper zirconium phosphate(V) (0.36/0.52/2/3)
• Formula: Cu0.516 D0.36 O12 P3 Zr2
• Calculated formula: Cu0.516 D0.36 O12 P3 Zr2
• Title of publication: The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 and D0.5 Cu(I)0.5 Zr2 (P O4)3
• Authors of publication: Olazcuaga, R; Le Flem, G; Boireau, A; Soubeyroux, J L
• Journal of publication: Advanced Materials Research
• Year of publication: 1994
• Journal volume: 1
• Pages of publication: 177 - 188
• a: 8.84 ± 0.01 Å
• b: 8.84 ± 0.01 Å
• c: 22.31 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1509.9 ų
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.045
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No