Improved crystallographic data for graphite

Powder diffraction pattern of SP-1 graphite has been obtained using synchrotron X-ray diffraction. Unit cell dimensions were calculated using a least-squares analysis that refined to a |Δ2θ°| of no more than 0.007. A hexagonal cell was determined with a space group of P 6 3 / mmc (194), a =2.4617(2) and c =6.7106 (4) Å. The Smith/Synder figure of merit is 167 based upon 11 peaks, which indicates that the quality of this data set is superior to the existing PDF card for graphite, 41-1487. It is also emphasized that the interlayer spacing of graphite should be 3.355(1) Å. Using GAS and EXPGUI codes, a new set of calculated powder diffraction data based upon the interlayer spacing of 3.555 Å is generated. A comparison with the current calculated card, 75-1621, has also been made.