Table 1 Experimental details of the Ca5(Si2O7)(CO3)2 post-tilleyite single-crystal structure refinements at 10.8 GPa.
From: Post-tilleyite, a dense calcium silicate-carbonate phase
Crystal data | |
Chemical formula | Ca5(Si2O7)(CO3)2 |
Crystal system | Monoclinic |
Space group | P21 |
Unit cell parameters | a = 7.3402(11) Å |
b = 9.7652(7) Å | |
c = 14.354(9) Å | |
β = 103.88(4)° | |
Cell volume | 998.8(9) Å3 |
Z | 4 |
Density | 3.25 g/cm3 |
Crystal structure refinement | |
Total number of reflections | 6377 |
Unique reflections | 5205 |
N°. refl. I > 3σ(I) | 4355 |
Rint | 0.0578 |
R1 | 0.0553 |
R1all | 0.0672 |
wR2 | 0.1355 |
N°. parameters | 178 |
GooF | 0.981 |
