Information card for entry 1000440

Structure parameters

• Chemical name: Calcium dibarium bis(hydrogenphosphate(V)) bis(dihydrogenphosphate(V))
• Formula: Ba2 Ca H6 O16 P4
• Calculated formula: Ba2 Ca H3 O16 P4
• Title of publication: Ab-initio powder structure determination of CaBa~2~(HPO~4~)~2~(H~2~PO~4~)~2~: a new phosphate with a M(TΦ~4~)~4~ chain structure
• Authors of publication: Toumi, M.; Chabchoub, S.; Smiri-Dogguy, L.; Laligant, Y.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 34
• Pages of publication: 1249 - 1257
• a: 12.3872 ± 0.0002 Å
• b: 10.2046 ± 0.0001 Å
• c: 5.4946 ± 0.0001 Å
• α: 90°
• β: 100.767 ± 0.001°
• γ: 90°
• Cell volume: 682.3 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.04
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No