# 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 (single atom) in [barn] # sigma_inc 0.001 incoherent scattering cross section (single atom) in [barn] # sigma_abs 0.0035 absorption scattering cross section (single atom) in [barn] # density 3.51 in [g/cm^3] # weight 12.01 in [g/mol] (single atom) # multiplicity 8 in [atoms/unit cell] # Vc 45.39 volume of unit cell in [A^3] # 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: Crystallographica format # column_j 4 multiplicity 'j' # column_d 5 d-spacing 'd' in [Angs] # column_F2 7 norm of scattering factor |F|^2 in [fm^2] # column_h 1 # column_k 2 # column_l 3 # # h k l Mult. d-space 2Theta F-squared 1 1 1 8 2.05941 43.9287 186.423 1 1 -1 8 2.05941 43.9287 186.423 1 -1 1 8 2.05941 43.9287 186.423 1 -1 -1 8 2.05941 43.9287 186.423 -1 1 1 8 2.05941 43.9287 186.423 -1 1 -1 8 2.05941 43.9287 186.423 -1 -1 1 8 2.05941 43.9287 186.423 -1 -1 -1 8 2.05941 43.9287 186.423 2 2 0 12 1.26112 75.293 72.4514 2 0 2 12 1.26112 75.293 72.4514 2 0 -2 12 1.26112 75.293 72.4514 2 -2 0 12 1.26112 75.293 72.4514 0 2 2 12 1.26112 75.293 72.4514 0 2 -2 12 1.26112 75.293 72.4514 0 -2 2 12 1.26112 75.293 72.4514 0 -2 -2 12 1.26112 75.293 72.4514 -2 2 0 12 1.26112 75.293 72.4514 -2 0 2 12 1.26112 75.293 72.4514 -2 0 -2 12 1.26112 75.293 72.4514 -2 -2 0 12 1.26112 75.293 72.4514 3 1 1 24 1.07549 91.4853 18.3279 1 3 1 24 1.07549 91.4853 18.3279 -1 -3 -1 24 1.07549 91.4853 18.3279 -3 -1 -1 24 1.07549 91.4853 18.3279 3 -1 -1 24 1.07549 91.4853 18.3279 1 1 3 24 1.07549 91.4853 18.3279 -1 -1 -3 24 1.07549 91.4853 18.3279 -3 1 1 24 1.07549 91.4853 18.3279 1 1 -3 24 1.07549 91.4853 18.3279 1 -1 3 24 1.07549 91.4853 18.3279 1 -1 -3 24 1.07549 91.4853 18.3279 1 -3 1 24 1.07549 91.4853 18.3279 1 -3 -1 24 1.07549 91.4853 18.3279 -1 3 1 24 1.07549 91.4853 18.3279 -1 3 -1 24 1.07549 91.4853 18.3279 -1 1 3 24 1.07549 91.4853 18.3279 -1 1 -3 24 1.07549 91.4853 18.3279 -1 -1 3 24 1.07549 91.4853 18.3279 3 1 -1 24 1.07549 91.4853 18.3279 3 -1 1 24 1.07549 91.4853 18.3279 1 3 -1 24 1.07549 91.4853 18.3279 -1 -3 1 24 1.07549 91.4853 18.3279 -3 1 -1 24 1.07549 91.4853 18.3279 -3 -1 1 24 1.07549 91.4853 18.3279 2 2 2 8 1.0297 96.8451 6.98236e-013 -2 -2 -2 8 1.0297 96.8451 6.98236e-013 2 -2 2 8 1.0297 96.8451 1.28247e-013 -2 2 -2 8 1.0297 96.8451 1.28247e-013 2 2 -2 8 1.0297 96.8451 1.28247e-013 -2 -2 2 8 1.0297 96.8451 1.28247e-013 2 -2 -2 8 1.0297 96.8451 1.42497e-014 -2 2 2 8 1.0297 96.8451 1.42497e-014 4 0 0 6 0.89175 119.488 13.8055 0 4 0 6 0.89175 119.488 13.8055 0 0 4 6 0.89175 119.488 13.8055 0 0 -4 6 0.89175 119.488 13.8055 0 -4 0 6 0.89175 119.488 13.8055 -4 0 0 6 0.89175 119.488 13.8055 3 -1 3 24 0.818326 140.538 3.99173 -3 1 -3 24 0.818326 140.538 3.99173 3 3 -1 24 0.818326 140.538 3.99173 3 1 -3 24 0.818326 140.538 3.99173 3 -3 1 24 0.818326 140.538 3.99173 -1 3 3 24 0.818326 140.538 3.99173 -3 -3 1 24 0.818326 140.538 3.99173 1 -3 -3 24 0.818326 140.538 3.99173 -3 3 -1 24 0.818326 140.538 3.99173 -3 -1 3 24 0.818326 140.538 3.99173 3 -1 -3 24 0.818326 140.538 3.99173 3 -3 -1 24 0.818326 140.538 3.99173 1 3 -3 24 0.818326 140.538 3.99173 1 -3 3 24 0.818326 140.538 3.99173 -1 3 -3 24 0.818326 140.538 3.99173 -1 -3 3 24 0.818326 140.538 3.99173 -3 3 1 24 0.818326 140.538 3.99173 -3 1 3 24 0.818326 140.538 3.99173 3 3 1 24 0.818326 140.538 3.99173 3 1 3 24 0.818326 140.538 3.99173 1 3 3 24 0.818326 140.538 3.99173 -1 -3 -3 24 0.818326 140.538 3.99173 -3 -1 -3 24 0.818326 140.538 3.99173 -3 -3 -1 24 0.818326 140.538 3.99173