Structural studies of boracites. IV. Thermal motion in cubic Ni3B7O13I at 77K
- 14 March 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (5) , 681-692
- https://doi.org/10.1088/0022-3719/9/5/010
Abstract
For pt.III see ibid., vol.9, p.665 (1976). The crystal structure of cubic nickel iodine boracite, Ni3B7O13I, has been investigated by neutron diffraction at 77K. Three-dimensional data were collected out to sin theta / lambda =0.73 AA-1 from a 11B-enriched single-crystal (100) growth sector. The final R-index was 3.4%. To investigate possible anharmonicity in the thermal motion of the metal (Ni) and halogen (I) atoms, third- and fourth-cumulant parameters were considered; only the fourth-cumulant parameters for Ni gave significant improvements in fit. Contrary to previous suggestions, it is not necessary to postulate disorder in the positions of the metal and halogen atoms in order to explain the experimental results.Keywords
This publication has 13 references indexed in Scilit:
- Structural studies of boracites. III. The cubic phase of nickel iodine boracite, Ni3B7O13I, at room temperatureJournal of Physics C: Solid State Physics, 1976
- Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3B7O13ClJournal of Physics C: Solid State Physics, 1974
- Structural studies of boracites. A review of the properties of boracitesJournal of Physics C: Solid State Physics, 1974
- (for The Neutron Diffraction Commission). Coherent neutron scattering amplitudesActa Crystallographica Section A, 1972
- Röntgen- und Neutronenbeugungsuntersuchungen an Ni-J-BoracitZeitschrift für Kristallographie, 1970
- Addition of higher cumulants to the crystallographic structure-factor equation: a generalized treatment for thermal-motion effectsActa Crystallographica Section A, 1969
- Neutron diffraction studies of anharmonic temperature factors in BaF2Acta Crystallographica Section A, 1968
- Some Properties of Ferromagnetoelectric Nickel-Iodine Boracite, Ni3B7O13IJournal of Applied Physics, 1966
- Significance tests on the crystallographic R factorActa Crystallographica, 1965
- The crystal structure of boraciteActa Crystallographica, 1951