# TITLE *-B4C-[R3-MH] Clark, H.K.;Hoard, J.L.[1943] [Black diamond, boron carbide] # CELL 5.620000 5.620000 12.140000 90.000000 90.000000 120.000000 # SPCGRP R -3 M TRIGONAL STRUCTURE # ATOM B 1 0.166700 -0.166700 0.360000 # ATOM B 2 0.106000 -0.106000 0.113000 # ATOM C 1 0.000000 0.000000 0.385000 # ATOM C 2 0.000000 0.000000 0.500000 # SCATTERING FACTOR COEFFICIENTS: B F= 0.665 CM-12 ; C F= 0.665 CM-12 # Reference: Journal of the American Chemical Society (1943) 65, 2115-2119 # # Physical parameters: # sigma_coh 19.71 coherent scattering cross section in [barn] # sigma_inc 6.801 incoherent scattering cross section in [barn] # sigma_abs 3068 absorption scattering cross section in [barn] # density 2.52 in [g/cm^3] # weight 55.25 in [g/mol] # nb_atoms 45 in [atoms/unit cell] # T_m 2718 melting temperature in [K] # T_b 3773 boiling temperature in [K] # lattice_a 5.620 lattice parameter a in [Angs] # lattice_c 12.14 lattice parameter c in [Angs] # lattice_cc 120 lattice angle gamma in [deg] # # Format Crystallographica # column_j 4 multiplicity 'j' # column_d 5 d-spacing 'd' in [Angs] # column_F 6 norm of scattering factor |F| in [barn^0.5] # column_h 1 # column_k 2 # column_l 3 # # h k l Mult. d-space 2Theta F-squared -1 1 1 6 4.5175 10322.25 0 0 3 2 4.0467 7083.3 0 1 2 12 3.7972 859.17 1 -1 2 6 3.7972 429.59 -1 2 0 12 2.81 4.09 1 1 0 6 2.81 2.04 -1 1 4 6 2.5753 9997.54 0 2 1 12 2.3861 27477.54 2 -2 1 6 2.3861 13738.77 -1 2 3 12 2.3081 3219.95 1 1 3 12 2.3081 3219.95 2 -1 3 12 2.3081 3219.95 -2 2 2 6 2.2588 12016.8 0 1 5 12 2.1727 6251.51 1 -1 5 6 2.1727 3125.76 0 0 6 2 2.0233 579 0 2 4 12 1.8986 17757.02 2 -2 4 6 1.8986 8878.51 -2 3 1 12 1.8188 18025.31 2 1 1 6 1.8188 9012.66 3 -1 1 12 1.8188 18025.32 -2 2 5 6 1.7188 9129.27 -1 2 6 12 1.642 542.69 1 1 6 12 1.642 542.69 2 -1 6 12 1.642 542.69 -1 1 7 6 1.6337 353.88 0 3 0 6 1.6224 711.23 -3 3 0 6 1.6224 711.23 -2 3 4 12 1.5732 1143.94 2 1 4 6 1.5732 571.97 3 -1 4 12 1.5732 1143.94 0 3 3 12 1.5058 851.4 -3 3 3 6 1.5058 2341.04 3 -3 3 6 1.5058 425.7 -1 3 5 12 1.4663 67.44 1 2 5 6 1.4663 33.72 3 -2 5 12 1.4663 67.44 0 1 8 12 1.4487 3176.34 1 -1 8 6 1.4487 1588.17 0 2 7 12 1.4123 31.68 2 -2 7 6 1.4123 15.84 -2 4 0 12 1.405 25210.42 2 2 0 6 1.405 12605.21 0 0 9 2 1.3489 157.44 -1 4 1 12 1.3416 3665.08 1 3 1 12 1.3416 3665.08 4 -3 1 12 1.3416 3665.08 -2 4 3 12 1.3273 12276.64 2 2 3 12 1.3273 12276.64 4 -2 3 12 1.3273 12276.64 -3 4 2 12 1.3177 3569.76 3 1 2 12 1.3177 3569.76 4 -1 2 12 1.3177 3569.76 -2 2 8 6 1.2877 2516.55 0 3 6 12 1.2657 2440.85 -3 3 6 6 1.2657 775.23 3 -3 6 6 1.2657 1220.42 -2 3 7 12 1.2619 274.31 2 1 7 6 1.2619 137.16 3 -1 7 12 1.2619 274.31 -1 4 4 12 1.2334 282.14 1 3 4 12 1.2334 282.14 4 -3 4 12 1.2334 282.14 -1 2 9 12 1.216 1182.02 1 1 9 12 1.216 1182.02 2 -1 9 12 1.216 1182.02 -4 4 1 6 1.2107 959.86 0 4 2 12 1.193 22609.99 4 -4 2 6 1.193 11305 -3 4 5 12 1.1798 127.24 3 1 5 12 1.1798 127.24 4 -1 5 12 1.1798 127.24 -1 1 10 6 1.1779 1184.71 -1 3 8 12 1.1706 48.11 1 2 8 6 1.1706 24.05 3 -2 8 12 1.1706 48.11