Neutron diffraction of the paraelectric and antiferroelectric phase of deuterated copper formate tetradeuterate
- 1 January 1978
- journal article
- research article
- Published by Taylor & Francis in Ferroelectrics
- Vol. 22 (1) , 847-852
- https://doi.org/10.1080/00150197908239440
Abstract
The crystal structure of the paraelectric and antiferroelectric phase (Tc = 246.1 K) of deuterated copper formate tetradeuterate was refined from neutron diffraction data. Final R factors were 0.022 and 0.033 respectively. Superstructure reflections in both phases indicate P1 as the correct space group. The refinement was carried out in the approximate space groups P21/a (296 K) and P21/n (120 K). The justification for this choice is discussed. The deuterium population parameters of the paraelectric phase are related to the hindered rotation of the water molecules. Accurate positional and thermal parameters for the antiferroelectric phase are presented and a value for the dipole moment was calculated from the refined ordering of the water layers.Keywords
This publication has 20 references indexed in Scilit:
- Coherent nuclear scattering amplitudes of germanium, copper and oxygen for thermal neutronsActa Crystallographica Section A, 1976
- The Raman spectra and the antiferroelectric phase transition of copper formate tetrahydrateJournal of Physics C: Solid State Physics, 1975
- The Raman spectrum of copper formate tetrahydrateJournal of Physics C: Solid State Physics, 1973
- An approximate structure for the antiferroelectric phase of copper formate tetrahydrate by means of neutron diffraction†Ferroelectrics, 1972
- The neutron-deuteron scattering lengthsPhysics Letters B, 1971
- The unit cell and space group of the antiferroelectric phase of copper formate tetrahydrateActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1971
- Specific-Heat Anomaly and Calculation of the Configurational Entropy Change at the Phase Transition in Copper Formate TetrahydratePhysical Review B, 1967
- Dielectric Behavior of Hydrated Crystals. IV. Cupric Formate Tetrahydrate, Cu(HCO2)2·4H2OBulletin of the Chemical Society of Japan, 1962
- Proton Magnetic Resonance in Cupric Formate Tetrahydrate, Cu(HCO2)2·4H2OBulletin of the Chemical Society of Japan, 1962
- The crystal structure of cupric formate tetrahydrate, Cu(HCO2)2.4H2OActa Crystallographica, 1954