TY - JOUR
T1 - X-ray and neutron single-crystal study of P4/n vesuvianite
AU - Pavese, A.
AU - Prencipe, M.
AU - Tribaudino, M.
AU - Aagaard Sørensen, S.
PY - 1998
Y1 - 1998
N2 - Single-crystal X-ray- and neutron-diffraction refinements (R = 3.9% and 6.6%, respectively) were performed on a sample of 4/n vesuvianite [a 15.532(1), c 11.821(1) Å, V 2851.7(5) Å3] from a rodingite in Val d' Ala, Piemonte, Italy. The results demonstrate an ordered distribution of Ca over Ca(4)a,b and of Fe over M(3)a,b sites, whereas no preference is shown by Al, Fe and Mg atoms at M(2)a,b sites. Moreover, the neutron refinement located five hydrogen positions [H(10)a,b,c and H(11)a,b], statistically occupied. H(11)a,b atoms are bonded to O(11)a and b, whereas H(10)a,b,c atoms are located along the 4-fold axis, and form hydroxyl groups with O(10)a and b. The presence of hydrogen gives rise to several possible local configurations, leading to complex schemes of order.
AB - Single-crystal X-ray- and neutron-diffraction refinements (R = 3.9% and 6.6%, respectively) were performed on a sample of 4/n vesuvianite [a 15.532(1), c 11.821(1) Å, V 2851.7(5) Å3] from a rodingite in Val d' Ala, Piemonte, Italy. The results demonstrate an ordered distribution of Ca over Ca(4)a,b and of Fe over M(3)a,b sites, whereas no preference is shown by Al, Fe and Mg atoms at M(2)a,b sites. Moreover, the neutron refinement located five hydrogen positions [H(10)a,b,c and H(11)a,b], statistically occupied. H(11)a,b atoms are bonded to O(11)a and b, whereas H(10)a,b,c atoms are located along the 4-fold axis, and form hydroxyl groups with O(10)a and b. The presence of hydrogen gives rise to several possible local configurations, leading to complex schemes of order.
KW - Nye funktionelle materialer
M3 - Journal article
SN - 0008-4476
VL - 36
SP - 1029
EP - 1037
JO - Canadian Mineralogist
JF - Canadian Mineralogist
ER -