Information card for entry 7022025

Structure parameters

• Common name: Potassium Calcium Vanadium Oxide
• Chemical name: Bipotassium Calcium Bivanadate
• Formula: Ca K2 O7 V2
• Calculated formula: Ca K2 O7 V2
• SMILES: [V](=O)([O-])([O-])O[V](=O)([O-])[O-].[Ca+2].[K+].[K+]
• Title of publication: K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.
• Authors of publication: Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 1057 - 1064
• a: 7.15767 ± 0.00012 Å
• b: 10.51041 ± 0.00017 Å
• c: 5.81873 ± 0.0001 Å
• α: 106.337 ± 0.0009°
• β: 106.235 ± 0.0011°
• γ: 71.1375 ± 0.0009°
• Cell volume: 388.839 ± 0.012 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No