Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic and structural investigation of caesium-nickel monophosphate CsNiPO4

Korchemkin, I.V., Pet'kov, V.I., Markin, A.V., Smirnova, N.N., Borovikova, E.Yu.
J. Chem. Thermodyn. 2019, 131, 175-183
ABSTRACT
The heat capacity function Cp,mo=fT of crystalline CsNiPO4 was measured between 6 K and 650 K. A heat capacity anomaly was found around 382.8 K due to a phase transition. The experimental data obtained were used to calculate the standard thermodynamic functions Cp,mo/R, delta0THmo/RT, delta0TSmo/R and phimo/R in the range from T = (5 to 650) K, and the standard entropy of formation at 298.15 K. The fractal dimension of CsNiPO4 was calculated from experimental data on the low-temperature (6 less than= T less than= 50) K heat capacity and the topology of the phosphate structure was estimated. The crystal structure of caesium-nickel monophosphate was investigated. Thermal expansion parameters were determined with high-temperature X-ray diffraction measurements in the temperature range from T = (473 to 1073) K.
Compounds
# Formula Name
1 CsNiO4P cesium nickel monophosphate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 133
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • DSC
  • 56
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • DSC
  • 138
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 50
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 50
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 50
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • DSC
  • 28
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • DSC
  • 28
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • DSC
  • 28
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • X-ray diffraction
  • 7