# TITLE *Diamond-C-[FD3-MS] Fayos, J.[1999] # CELL 3.567000 3.567000 3.567000 90.000000 90.000000 90.000000 # SPCGRP F D 3 M CUBIC STRUCTURE # ATOM C 1 0.000000 0.000000 0.000000 # SCATTERING FACTOR COEFFICIENTS: C F= 0.665 CM-12 # Reference: Journal of Solid State Chemistry (1999) 148, 278-285 # # Physical parameters: # sigma_coh 5.551 coherent scattering cross section in [barn] # sigma_inc 0.001 incoherent scattering cross section in [barn] # sigma_abs 0.0035 absorption scattering cross section in [barn] # density 3.51 in [g/cm^3] # weight 12.01 in [g/mol] # nb_atoms 16 in [atoms/unit cell] # v_sound 18350 in [m/s] # T_m 4400 melting temperature in [K] # At_number 6 atomic number Z # lattice_a 3.567 lattice parameter a in [Angs] # # Format parameters: Lazy format # column_j 17 multiplicity 'j' # column_d 6 d-spacing 'd' in [Angs] # column_F 13 norm of scattering factor |F| in [barn^0.5] # column_h 1 # column_k 2 # column_l 3 # # H K L THETA 2THETA D VALUE 1/D**2 SIN2*1000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG 1 1 1 14.05 28.10 2.0594 0.2358 58.95 1 1 1 1000.0 5.0 -5.02 0.00 180.00 8 17.49 2 2 0 23.36 46.72 1.2611 0.6288 157.19 2 2 0 0.0 0.0 0.00 0.00 0.00 12 6.93 3 1 1 27.70 55.41 1.0755 0.8645 216.14 3 1 1 654.6 4.3 4.29 0.00 0.00 24 5.23 2 2 2 29.05 58.10 1.0297 0.9431 235.78 2 2 2 779.1 8.4 8.41 0.00 0.00 8 4.85 4 0 0 34.10 68.21 0.8917 1.2575 314.38 4 0 0 395.4 7.8 7.77 0.00 0.00 6 3.84 3 3 1 37.66 75.32 0.8183 1.4933 373.33 3 3 1 309.5 3.7 3.66 0.00 0.00 24 3.38 4 2 2 43.37 86.74 0.7281 1.8863 471.57 4 2 2 0.0 0.0 0.00 0.00 0.00 24 2.92 5 1 1 46.75 93.50 0.6865 2.1221 530.51 5 1 1 183.8 3.1 -3.13 0.00 180.00 24 2.75 3 3 3 46.75 93.50 0.6865 2.1221 530.51 3 3 3 61.3 3.1 -3.13 0.00 180.00 8 2.75 4 4 0 52.46 104.92 0.6306 2.5150 628.76 4 4 0 286.5 5.7 5.67 0.00 0.00 12 2.61 5 3 1 56.02 112.05 0.6029 2.7508 687.70 5 3 1 253.9 2.7 2.67 0.00 0.00 48 2.60 4 4 2 57.25 114.50 0.5945 2.8294 707.35 4 4 2 0.0 0.0 0.00 0.00 0.00 24 2.61 6 2 0 62.44 124.88 0.5640 3.1438 785.95 6 2 0 0.0 0.0 0.00 0.00 0.00 24 2.75 5 3 3 66.81 133.61 0.5440 3.3796 844.89 5 3 3 107.1 2.3 2.29 0.00 0.00 24 3.01 6 2 2 68.40 136.81 0.5377 3.4582 864.54 6 2 2 430.5 4.5 4.48 0.00 0.00 24 3.14 4 4 4 76.20 152.41 0.5149 3.7726 943.14 4 4 4 173.5 4.1 4.14 0.00 0.00 8 4.45