Abstract
The crystal structure of SrAl2Si2O8 with a celsian-type framework structure has been refined to R = 0.047 by full-matrix least-squares methods using 1058 ‘a’-type (h + k even, l even) and 258 much weaker ‘b’-type reflections (h + k odd, l odd).The cell parameters a = 8.388 (3), b = 12.947 (4), c = 14.263 (6) Å, β = 115.2 (1)°; the space groupi is I2/c
This compound was synthesized in a Verneuil furnace from a stoichiometric mixture of SrCO3, SiO2, and Al2O3 and shows a partially disordered Al/Si distribution. The mean T-o distances, T1O = 1.626, T2Z = 1.630, T1Z = 1.732, and T2O = l.735 Å, when compared with the grand mean Si-O bond length of 1.614 Å and Al-O bond length of 1.747 Å in ordered primitive anorthite, indicate approximately 10 percent Al in the Si-rich and 10 percent Si in the Al-rich sites of this compound.
The Sr atom can be considered to be 7-coordinated, (Sr-O) = 2.691 Å, or 9-coordinated, (Sr-O) = 2.786 Å. These values are both 0.03 Å shorter than those reported by Grundy and Ito (1974) for a highly disordered, synthetic (Sr0.84Na0.03□0.13)A11.7Si2.3O8, (space group C2/m).
Using the 7-coordinated model, there is a positive correlation of mean T-O distances to 2-, 3-, and 4-coordinated oxygen atoms and the parameter, ∑[1/(Sr-O)2], which is the sum of the inverse squares of the Sr-O distances to these oxygens:
C.N.(O) . | Mean ∑ [1/Sr-O)2] . | Mean Si-O . | Mean Al-O . |
---|---|---|---|
2 | 0 | 1.610 Å | 1.724 Å |
3 | 0.137 | 1.632 Å | 1.734 Å |
4 | 0.287 | 1.644 Å | 1.755 Å |
C.N.(O) . | Mean ∑ [1/Sr-O)2] . | Mean Si-O . | Mean Al-O . |
---|---|---|---|
2 | 0 | 1.610 Å | 1.724 Å |
3 | 0.137 | 1.632 Å | 1.734 Å |
4 | 0.287 | 1.644 Å | 1.755 Å |