X-ray wavelength: 1.5405 A Filename: Cr23C6 (volume fraction: 100.00%) UNIT CELL DATA a: 10.6500 b: 10.6500 c: 10.6500 A alpha: 90.000 beta: 90.000 gamma: 90.000 degrees cell volume: 1207.949 A**3 calculated density: 6972.77 kg / m**3 RECIPROCAL UNIT CELL DATA a*: 0.0939 b*: 0.0939 c*: 0.0939 1/A alpha*: 90.000 beta*: 90.000 gamma*: 90.000 degrees Lattice type: F SPACE GROUP F m -3 m ASYMMETRIC UNIT label ------- Site Occupancy ------- x y z Num In Cell T1 Cr 1.000 0.0000 0.0000 0.0000 4 T2 Cr 1.000 0.2500 0.2500 0.2500 8 T3 Cr 1.000 0.0000 0.1699 0.1699 48 T4 Cr 1.000 0.3809 0.3809 0.3809 32 T5 C 1.000 0.2765 0.0000 0.0000 24 Total of: 116 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] 3 1 1 1 6.14878 14.3926 1.64121e-03 0.8 8 [ 2] 4 0 2 0 5.32500 16.6338 1.88364e-04 0.1 6 [ 3] 8 2 2 0 3.76534 23.6078 1.08687e-03 0.5 12 [ 4] 11 1 3 1 3.21110 27.7579 4.09379e-03 2.0 24 [ 5] 12 2 2 2 3.07439 29.0186 2.75905e-03 1.3 8 [ 6] 16 0 0 4 2.66250 33.6316 9.22664e-03 4.4 6 [ 7] 19 3 3 1 2.44328 36.7521 1.95889e-03 0.9 24 [ 8] 20 4 0 2 2.38141 37.7425 4.47487e-02 21.5 24 [ 9] 24 2 4 2 2.17392 41.5028 5.80083e-02 27.8 24 [ 10] 27 1 1 5 2.04959 44.1483 2.08571e-01 100.0 32 [ 11] 32 4 4 0 1.88267 48.2999 4.77166e-02 22.9 12 [ 12] 35 1 3 5 1.80018 50.6655 5.61306e-02 26.9 48 [ 13] 36 4 4 2 1.77500 51.4362 2.75025e-02 13.2 30 [ 14] 40 0 6 2 1.68391 54.4411 4.57346e-03 2.2 24 [ 15] 43 3 3 5 1.62411 56.6223 5.99837e-03 2.9 24 [ 16] 44 2 6 2 1.60555 57.3372 1.58655e-02 7.6 24 [ 17] 48 4 4 4 1.53720 60.1423 5.83306e-04 0.3 8 [ 18] 51 5 1 5 1.49130 62.1950 9.79031e-04 0.5 48 [ 19] 52 6 0 4 1.47689 62.8706 1.39383e-03 0.7 24 [ 20] 56 6 2 4 1.42317 65.5338 5.59398e-09 0.0 48 [ 21] 59 1 7 3 1.38651 67.4946 4.45030e-04 0.2 72 [ 22] 64 8 0 0 1.33125 70.7031 8.52473e-03 4.1 6 [ 23] 67 3 3 7 1.30110 72.5977 3.22837e-04 0.2 24 [ 24] 68 4 4 6 1.29150 73.2248 1.11998e-02 5.4 48 [ 25] 72 2 2 8 1.25511 75.7134 4.04799e-02 19.4 36 [ 26] 75 5 1 7 1.22976 77.5618 2.44857e-02 11.7 56 [ 27] 76 2 6 6 1.22164 78.1749 8.66456e-04 0.4 24 [ 28] 80 4 0 8 1.19071 80.6143 1.07454e-02 5.2 24 [ 29] 83 5 3 7 1.16899 82.4324 1.34743e-02 6.5 72 [ 30] 84 8 2 4 1.16201 83.0367 1.30827e-03 0.6 48 [ 31] 88 4 6 6 1.13529 85.4466 1.71971e-03 0.8 24 [ 32] 91 1 9 3 1.11642 87.2486 6.08328e-03 2.9 48 [ 33] 96 8 4 4 1.08696 90.2466 3.16187e-02 15.2 24 [ 34] 99 9 3 3 1.07037 92.0453 1.65165e-02 7.9 72 [ 35] 100 8 0 6 1.06500 92.6452 2.56289e-03 1.2 30 [ 36] 104 2 6 8 1.04432 95.0483 2.39311e-04 0.1 72 [ 37] 107 5 1 9 1.02957 96.8564 8.38992e-04 0.4 72 [ 38] 108 2 10 2 1.02480 97.4605 5.04338e-03 2.4 32 *****************************************************************