************************************************************************ Output generated by CrystalDiffract 5.1.2 (c) 1995-2005 CrystalMaker Software Ltd ************************************************************************ (This file looks best in a mono-spaced font e.g., Monaco or Courier) X-ray wavelength: 1.5405 A Filename: epsilon_carbide (volume fraction: 100.00%) UNIT CELL DATA a: 4.7670 b: 4.7670 c: 4.3540 A alpha: 90.000 beta: 90.000 gamma: 120.000 degrees cell volume: 85.686 A**3 calculated density: 7502.62 kg / m**3 RECIPROCAL UNIT CELL DATA a*: 0.2422 b*: 0.2422 c*: 0.2297 1/A alpha*: 90.000 beta*: 90.000 gamma*: 60.000 degrees Lattice type: P ASYMMETRIC UNIT label ------- Site Occupancy ------- x y z Num In Cell 2d C 1.000 0.3333 0.6667 0.2500 2 part N 1.000 0.0000 0.0000 0.2500 2 6g Fe 1.000 0.3333 0.0000 0.0000 6 Total of: 10 atoms in the unit cell REFLECTIONS LIST Notes: 1. Intensities are relative to 1 cubic Angstrom of material 2. multiplicities may show unexpected values if two reflections with different sets of Miller Indices have the same d-spacing. In these cases, CrystalDiffract lists the SUM of the multiplicities for all reflections with the same d-spacing ref no. (N) h k l d(hkl) 2-Theta Intensity I/Imax m(hkl) [ 1] 2 1 -1 0 4.12834 21.5061 3.93655e-03 1.1 6 [ 2] 2 1 0 -1 2.99578 29.7975 4.02326e-03 1.2 12 [ 3] 5 -1 2 0 2.38350 37.7082 4.64263e-02 13.5 6 [ 4] 4 0 0 2 2.17700 41.4414 6.59770e-02 19.2 2 [ 5] 6 2 -1 1 2.09073 43.2355 3.43010e-01 100.0 12 [ 6] 8 2 -2 0 2.06417 43.8203 4.08336e-04 0.1 6 [ 7] 5 -1 0 2 1.92566 47.1554 6.12873e-04 0.2 12 [ 8] 9 -2 2 1 1.86518 48.7822 6.34123e-04 0.2 12 [ 9] 6 1 1 -2 1.60743 57.2640 6.95225e-02 20.3 12 [ 10] 13 -2 3 0 1.56037 59.1594 2.40521e-04 0.1 12 [ 11] 8 0 2 -2 1.49789 61.8911 1.98793e-04 0.1 12 [ 12] 11 -3 1 1 1.46889 63.2525 4.55409e-04 0.1 24 [ 13] 18 3 -3 0 1.37611 68.0740 6.36836e-02 18.6 6 [ 14] 10 -1 0 3 1.36919 68.4660 1.70421e-04 0.0 12 [ 15] 14 1 -3 2 1.26824 74.7943 1.82946e-04 0.1 24 [ 16] 11 1 1 -3 1.23961 76.8318 5.30268e-02 15.5 12 [ 17] 8 2 2 0 1.19175 80.5292 4.82737e-03 1.4 6 [ 18] 17 -2 2 3 1.18724 80.8982 1.00945e-04 0.0 12 [ 19] 13 -3 0 2 1.16321 82.9323 4.56249e-02 13.3 12 [ 20] 21 -4 2 1 1.14947 84.1483 4.10254e-02 12.0 12 [ 21] 17 1 -4 0 1.14500 84.5531 5.91657e-05 0.0 12 [ 22] 26 4 -3 1 1.10735 88.1472 1.65504e-04 0.0 24 [ 23] 16 0 0 4 1.08850 90.0840 9.46541e-03 2.8 2 [ 24] 14 1 2 -3 1.06271 92.9046 1.51312e-04 0.0 24 [ 25] 17 1 0 4 1.05253 94.0765 4.43932e-05 0.0 12 [ 26] 12 2 2 -2 1.04536 94.9233 1.54237e-02 4.5 12 [ 27] 32 4 -4 0 1.03209 96.5425 2.10682e-05 0.0 6 [ 28] 29 4 -3 2 1.01338 98.9425 8.07858e-05 0.0 24 [ 29] 17 0 4 -1 1.00426 100.1678 6.99063e-05 0.0 12 *****************************************************************