# 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 for B4C in [barn] # sigma_inc 6.801 incoherent scattering cross section for B4C in [barn] # sigma_abs 3068 absorption scattering cross section for B4C in [barn] # density 2.52 in [g/cm^3] # weight 55.25 in [g/mol] for B4C # multiplicity 9 in [B4C/unit cell] # Vc 328.9 volume of unit cell in [A^3] # 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 0 1 6 4.5106 19.6653 46.7474 1 -1 -1 6 4.5106 19.6653 46.7474 0 1 -1 6 4.5106 19.6653 46.7474 0 -1 1 6 4.5106 19.6653 46.7474 -1 1 1 6 4.5106 19.6653 46.7474 -1 0 -1 6 4.5106 19.6653 46.7474 0 0 3 2 4.04666 21.9463 548.359 0 0 -3 2 4.04666 21.9463 548.359 1 0 -2 6 3.79304 23.4339 1000.37 -1 0 2 6 3.79304 23.4339 1000.37 1 -1 2 6 3.79304 23.4339 1000.37 0 1 2 6 3.79304 23.4339 1000.37 0 -1 -2 6 3.79304 23.4339 1000.37 -1 1 -2 6 3.79304 23.4339 1000.37 1 1 0 6 2.805 31.8775 321.465 1 -2 0 6 2.805 31.8775 321.465 -1 2 0 6 2.805 31.8775 321.465 -1 -1 0 6 2.805 31.8775 321.465 2 -1 0 6 2.805 31.8775 321.465 -2 1 0 6 2.805 31.8775 321.465 1 0 4 6 2.57403 34.8252 1193.48 1 -1 -4 6 2.57403 34.8252 1193.48 0 1 -4 6 2.57403 34.8252 1193.48 0 -1 4 6 2.57403 34.8252 1193.48 -1 1 4 6 2.57403 34.8252 1193.48 -1 0 -4 6 2.57403 34.8252 1193.48 2 0 -1 6 2.38198 37.7347 2736.8 2 -2 1 6 2.38198 37.7347 2736.8 0 2 1 6 2.38198 37.7347 2736.8 0 -2 -1 6 2.38198 37.7347 2736.8 -2 2 -1 6 2.38198 37.7347 2736.8 -2 0 1 6 2.38198 37.7347 2736.8 1 1 -3 12 2.30532 39.0394 125.685 1 -2 3 12 2.30532 39.0394 125.685 -1 2 -3 12 2.30532 39.0394 125.685 -1 -1 3 12 2.30532 39.0394 125.685 1 1 3 12 2.30532 39.0394 125.685 1 -2 -3 12 2.30532 39.0394 125.685 -1 2 3 12 2.30532 39.0394 125.685 -1 -1 -3 12 2.30532 39.0394 125.685 2 -1 3 12 2.30532 39.0394 125.685 2 -1 -3 12 2.30532 39.0394 125.685 -2 1 3 12 2.30532 39.0394 125.685 -2 1 -3 12 2.30532 39.0394 125.685 2 0 2 6 2.2553 39.9417 0.268493 2 -2 -2 6 2.2553 39.9417 0.268493 -2 2 2 6 2.2553 39.9417 0.268493 -2 0 -2 6 2.2553 39.9417 0.268493 0 2 -2 6 2.2553 39.9417 0.26849 0 -2 2 6 2.2553 39.9417 0.26849 1 0 -5 6 2.17188 41.5452 0.546521 0 1 5 6 2.17188 41.5452 0.546521 0 -1 -5 6 2.17188 41.5452 0.546521 -1 0 5 6 2.17188 41.5452 0.546521 1 -1 5 6 2.17188 41.5452 0.546517 -1 1 -5 6 2.17188 41.5452 0.546517 0 0 6 2 2.02333 44.7539 25.6745 0 0 -6 2 2.02333 44.7539 25.6745 2 0 -4 6 1.89652 47.927 4.51031 -2 0 4 6 1.89652 47.927 4.51031 2 -2 4 6 1.89652 47.927 4.51031 0 2 4 6 1.89652 47.927 4.51031 0 -2 -4 6 1.89652 47.927 4.51031 -2 2 -4 6 1.89652 47.927 4.51031 1 -3 1 12 1.81565 50.2058 139.979 -1 3 -1 12 1.81565 50.2058 139.979 3 -1 1 12 1.81565 50.2058 139.979 3 -2 -1 12 1.81565 50.2058 139.979 2 1 1 12 1.81565 50.2058 139.979 2 -3 -1 12 1.81565 50.2058 139.979 1 2 -1 12 1.81565 50.2058 139.979 -1 -2 1 12 1.81565 50.2058 139.979 -2 3 1 12 1.81565 50.2058 139.979 -2 -1 -1 12 1.81565 50.2058 139.979 -3 2 1 12 1.81565 50.2058 139.979 -3 1 -1 12 1.81565 50.2058 139.979 3 -2 2 12 1.75763 51.9843 1.63201 2 1 -2 12 1.75763 51.9843 1.63201 2 -3 2 12 1.75763 51.9843 1.63201 1 2 2 12 1.75763 51.9843 1.63201 -1 -2 -2 12 1.75763 51.9843 1.63201 -2 3 -2 12 1.75763 51.9843 1.63201 -2 -1 2 12 1.75763 51.9843 1.63201 -3 2 -2 12 1.75763 51.9843 1.63201 3 -1 -2 12 1.75763 51.9843 1.63201 -3 1 2 12 1.75763 51.9843 1.63201 1 -3 -2 12 1.75763 51.9843 1.63201 -1 3 2 12 1.75763 51.9843 1.63201 2 0 5 6 1.71728 53.301 531.521 2 -2 -5 6 1.71728 53.301 531.521 0 2 -5 6 1.71728 53.301 531.521 0 -2 5 6 1.71728 53.301 531.521 -2 2 5 6 1.71728 53.301 531.521 -2 0 -5 6 1.71728 53.301 531.521 2 -1 6 12 1.64097 55.9915 13.2403 1 -2 6 12 1.64097 55.9915 13.2403 -1 2 -6 12 1.64097 55.9915 13.2403 -2 1 -6 12 1.64097 55.9915 13.2403 2 -1 -6 12 1.64097 55.9915 13.2403 1 1 6 12 1.64097 55.9915 13.2403 1 1 -6 12 1.64097 55.9915 13.2403 1 -2 -6 12 1.64097 55.9915 13.2403 -1 2 6 12 1.64097 55.9915 13.2403 -1 -1 6 12 1.64097 55.9915 13.2403 -1 -1 -6 12 1.64097 55.9915 13.2403 -2 1 6 12 1.64097 55.9915 13.2403 1 -1 -7 6 1.63334 56.2762 139.519 0 1 -7 6 1.63334 56.2762 139.519 0 -1 7 6 1.63334 56.2762 139.519 -1 1 7 6 1.63334 56.2762 139.519 1 0 7 6 1.63334 56.2762 139.519 -1 0 -7 6 1.63334 56.2762 139.519 3 0 0 6 1.61947 56.8018 23.4871 0 3 0 6 1.61947 56.8018 23.4871 0 -3 0 6 1.61947 56.8018 23.4871 -3 0 0 6 1.61947 56.8018 23.4871 3 -3 0 6 1.61947 56.8018 23.4871 -3 3 0 6 1.61947 56.8018 23.4871 3 -1 4 12 1.57111 58.7176 27.353 3 -2 -4 12 1.57111 58.7176 27.353 2 1 4 12 1.57111 58.7176 27.353 2 -3 -4 12 1.57111 58.7176 27.353 1 2 -4 12 1.57111 58.7176 27.353 1 -3 4 12 1.57111 58.7176 27.353 -1 3 -4 12 1.57111 58.7176 27.353 -1 -2 4 12 1.57111 58.7176 27.353 -2 3 4 12 1.57111 58.7176 27.353 -2 -1 -4 12 1.57111 58.7176 27.353 -3 2 4 12 1.57111 58.7176 27.353 -3 1 -4 12 1.57111 58.7176 27.353 3 0 -3 6 1.50353 61.636 250.437 3 -3 3 6 1.50353 61.636 250.437 -3 3 -3 6 1.50353 61.636 250.437 -3 0 3 6 1.50353 61.636 250.437 0 3 3 6 1.50353 61.636 250.437 0 -3 -3 6 1.50353 61.636 250.437 3 -3 -3 6 1.50353 61.636 244.999 -3 3 3 6 1.50353 61.636 244.999 3 0 3 6 1.50353 61.636 244.999 0 3 -3 6 1.50353 61.636 244.999 0 -3 3 6 1.50353 61.636 244.999 -3 0 -3 6 1.50353 61.636 244.999 3 -1 -5 12 1.4646 63.4621 419.799 2 1 -5 12 1.4646 63.4621 419.799 2 -3 5 12 1.4646 63.4621 419.799 1 2 5 12 1.4646 63.4621 419.799 1 -3 -5 12 1.4646 63.4621 419.799 -1 3 5 12 1.4646 63.4621 419.799 -1 -2 -5 12 1.4646 63.4621 419.799 -2 3 -5 12 1.4646 63.4621 419.799 -2 -1 5 12 1.4646 63.4621 419.799 -3 1 5 12 1.4646 63.4621 419.799 3 -2 5 12 1.4646 63.4621 419.799 -3 2 -5 12 1.4646 63.4621 419.799 0 1 8 6 1.44849 64.252 849.81 0 -1 -8 6 1.44849 64.252 849.81 1 0 -8 6 1.44849 64.252 849.81 1 -1 8 6 1.44849 64.252 849.81 -1 1 -8 6 1.44849 64.252 849.81 -1 0 8 6 1.44849 64.252 849.81 2 0 -7 6 1.41148 66.1484 195.375 2 -2 7 6 1.41148 66.1484 195.375 -2 2 -7 6 1.41148 66.1484 195.375 -2 0 7 6 1.41148 66.1484 195.375 0 2 7 6 1.41148 66.1484 195.375 0 -2 -7 6 1.41148 66.1484 195.375 4 -2 0 6 1.4025 66.627 852.567 2 -4 0 6 1.4025 66.627 852.567 -2 4 0 6 1.4025 66.627 852.567 -4 2 0 6 1.4025 66.627 852.567 2 2 0 6 1.4025 66.627 852.567 -2 -2 0 6 1.4025 66.627 852.567 0 0 9 2 1.34889 69.6467 74.6624 0 0 -9 2 1.34889 69.6467 74.6624 4 -1 -1 12 1.33925 70.2212 307.368 4 -3 1 12 1.33925 70.2212 307.368 3 1 -1 12 1.33925 70.2212 307.368 3 -4 1 12 1.33925 70.2212 307.368 1 3 1 12 1.33925 70.2212 307.368 1 -4 -1 12 1.33925 70.2212 307.368 -1 4 1 12 1.33925 70.2212 307.368 -1 -3 -1 12 1.33925 70.2212 307.368 -3 4 -1 12 1.33925 70.2212 307.368 -3 -1 1 12 1.33925 70.2212 307.368 -4 3 -1 12 1.33925 70.2212 307.368 -4 1 1 12 1.33925 70.2212 307.368 4 -2 3 12 1.32517 71.0799 290.285 4 -2 -3 12 1.32517 71.0799 290.285 2 2 -3 12 1.32517 71.0799 290.285 2 -4 3 12 1.32517 71.0799 290.285 -2 4 -3 12 1.32517 71.0799 290.285 -2 -2 3 12 1.32517 71.0799 290.285 -4 2 3 12 1.32517 71.0799 290.285 -4 2 -3 12 1.32517 71.0799 290.285 2 2 3 12 1.32517 71.0799 290.285 2 -4 -3 12 1.32517 71.0799 290.285 -2 4 3 12 1.32517 71.0799 290.285 -2 -2 -3 12 1.32517 71.0799 290.285 4 -1 2 12 1.31546 71.6853 339.518 4 -3 -2 12 1.31546 71.6853 339.518 3 1 2 12 1.31546 71.6853 339.518 3 -4 -2 12 1.31546 71.6853 339.518 1 3 -2 12 1.31546 71.6853 339.518 1 -4 2 12 1.31546 71.6853 339.518 -1 4 -2 12 1.31546 71.6853 339.518 -1 -3 2 12 1.31546 71.6853 339.518 -3 4 2 12 1.31546 71.6853 339.518 -3 -1 -2 12 1.31546 71.6853 339.518 -4 3 2 12 1.31546 71.6853 339.518 -4 1 -2 12 1.31546 71.6853 339.518 2 0 8 6 1.28702 73.5252 190.726 2 -2 -8 6 1.28702 73.5252 190.726 0 2 -8 6 1.28702 73.5252 190.726 0 -2 8 6 1.28702 73.5252 190.726 -2 2 8 6 1.28702 73.5252 190.726 -2 0 -8 6 1.28702 73.5252 190.726 3 0 -6 6 1.26435 75.0679 201.699 3 -3 6 6 1.26435 75.0679 201.699 -3 3 -6 6 1.26435 75.0679 201.699 -3 0 6 6 1.26435 75.0679 201.699 0 3 6 6 1.26435 75.0679 201.699 0 -3 -6 6 1.26435 75.0679 201.699 3 -3 -6 6 1.26435 75.0679 126.862 0 3 -6 6 1.26435 75.0679 126.862 0 -3 6 6 1.26435 75.0679 126.862 -3 3 6 6 1.26435 75.0679 126.862 3 0 6 6 1.26435 75.0679 126.862 -3 0 -6 6 1.26435 75.0679 126.862 3 -1 7 12 1.26085 75.3124 284.377 3 -2 -7 12 1.26085 75.3124 284.377 2 1 7 12 1.26085 75.3124 284.377 2 -3 -7 12 1.26085 75.3124 284.377 1 2 -7 12 1.26085 75.3124 284.377 1 -3 7 12 1.26085 75.3124 284.377 -1 3 -7 12 1.26085 75.3124 284.377 -1 -2 7 12 1.26085 75.3124 284.377 -2 3 7 12 1.26085 75.3124 284.377 -2 -1 -7 12 1.26085 75.3124 284.377 -3 2 7 12 1.26085 75.3124 284.377 -3 1 -7 12 1.26085 75.3124 284.377 4 -1 -4 12 1.23155 77.4311 5.78056 4 -3 4 12 1.23155 77.4311 5.78056 3 1 -4 12 1.23155 77.4311 5.78056 3 -4 4 12 1.23155 77.4311 5.78056 1 3 4 12 1.23155 77.4311 5.78056 1 -4 -4 12 1.23155 77.4311 5.78056 -1 4 4 12 1.23155 77.4311 5.78056 -1 -3 -4 12 1.23155 77.4311 5.78056 -3 4 -4 12 1.23155 77.4311 5.78056 -3 -1 4 12 1.23155 77.4311 5.78056 -4 3 -4 12 1.23155 77.4311 5.78056 -4 1 4 12 1.23155 77.4311 5.78056 2 -1 9 12 1.21563 78.6392 67.1584 2 -1 -9 12 1.21563 78.6392 67.1584 1 1 9 12 1.21563 78.6392 67.1584 1 1 -9 12 1.21563 78.6392 67.1584 1 -2 9 12 1.21563 78.6392 67.1584 1 -2 -9 12 1.21563 78.6392 67.1584 -1 2 9 12 1.21563 78.6392 67.1584 -1 2 -9 12 1.21563 78.6392 67.1584 -1 -1 9 12 1.21563 78.6392 67.1584 -1 -1 -9 12 1.21563 78.6392 67.1584 -2 1 9 12 1.21563 78.6392 67.1584 -2 1 -9 12 1.21563 78.6392 67.1584 0 4 -1 6 1.20857 79.189 132.29 0 -4 1 6 1.20857 79.189 132.29 4 -4 -1 6 1.20857 79.189 132.29 -4 4 1 6 1.20857 79.189 132.29 4 0 1 6 1.20857 79.189 132.29 -4 0 -1 6 1.20857 79.189 132.29 0 4 2 6 1.19099 80.5949 290.865 0 -4 -2 6 1.19099 80.5949 290.865 4 0 -2 6 1.19099 80.5949 290.865 4 -4 2 6 1.19099 80.5949 290.865 -4 4 -2 6 1.19099 80.5949 290.865 -4 0 2 6 1.19099 80.5949 290.865 1 3 -5 12 1.1782 81.6541 49.3217 -1 -3 5 12 1.1782 81.6541 49.3217 4 -1 5 12 1.1782 81.6541 49.3217 4 -3 -5 12 1.1782 81.6541 49.3217 3 1 5 12 1.1782 81.6541 49.3217 3 -4 -5 12 1.1782 81.6541 49.3217 1 -4 5 12 1.1782 81.6541 49.3217 -1 4 -5 12 1.1782 81.6541 49.3217 -3 4 5 12 1.1782 81.6541 49.3217 -3 -1 -5 12 1.1782 81.6541 49.3217 -4 3 5 12 1.1782 81.6541 49.3217 -4 1 -5 12 1.1782 81.6541 49.3217 1 -1 -10 6 1.17779 81.6887 72.9947 -1 1 10 6 1.17779 81.6887 72.9947 1 0 10 6 1.17779 81.6887 72.9947 0 1 -10 6 1.17779 81.6887 72.9947 0 -1 10 6 1.17779 81.6887 72.9947 -1 0 -10 6 1.17779 81.6887 72.9947 3 -2 8 12 1.16976 82.3702 127.004 2 1 -8 12 1.16976 82.3702 127.004 2 -3 8 12 1.16976 82.3702 127.004 -2 3 -8 12 1.16976 82.3702 127.004 -2 -1 8 12 1.16976 82.3702 127.004 -3 2 -8 12 1.16976 82.3702 127.004 3 -1 -8 12 1.16976 82.3702 127.004 1 2 8 12 1.16976 82.3702 127.004 1 -3 -8 12 1.16976 82.3702 127.004 -1 3 8 12 1.16976 82.3702 127.004 -1 -2 -8 12 1.16976 82.3702 127.004 -3 1 8 12 1.16976 82.3702 127.004 4 -2 6 12 1.15266 83.8661 77.7001 2 2 6 12 1.15266 83.8661 77.7001 -2 -2 -6 12 1.15266 83.8661 77.7001 -4 2 -6 12 1.15266 83.8661 77.7001 4 -2 -6 12 1.15266 83.8661 77.7 2 2 -6 12 1.15266 83.8661 77.7 2 -4 6 12 1.15266 83.8661 77.7 2 -4 -6 12 1.15266 83.8661 77.7 -2 4 6 12 1.15266 83.8661 77.7 -2 4 -6 12 1.15266 83.8661 77.7 -2 -2 6 12 1.15266 83.8661 77.7 -4 2 6 12 1.15266 83.8661 77.7 0 4 -4 6 1.12765 86.1702 48.8532 0 -4 4 6 1.12765 86.1702 48.8532 4 0 4 6 1.12765 86.1702 48.8532 4 -4 -4 6 1.12765 86.1702 48.8532 -4 4 4 6 1.12765 86.1702 48.8532 -4 0 -4 6 1.12765 86.1702 48.8532 5 -2 1 12 1.10993 87.894 0.907566 5 -3 -1 12 1.10993 87.894 0.907566 3 2 1 12 1.10993 87.894 0.907566 3 -5 -1 12 1.10993 87.894 0.907566 2 3 -1 12 1.10993 87.894 0.907566 2 -5 1 12 1.10993 87.894 0.907566 -2 5 -1 12 1.10993 87.894 0.907566 -2 -3 1 12 1.10993 87.894 0.907566 -3 5 1 12 1.10993 87.894 0.907566 -3 -2 -1 12 1.10993 87.894 0.907566 -5 3 1 12 1.10993 87.894 0.907566 -5 2 -1 12 1.10993 87.894 0.907566 5 -2 -2 12 1.09626 89.2785 26.8591 3 2 -2 12 1.09626 89.2785 26.8591 3 -5 2 12 1.09626 89.2785 26.8591 2 3 2 12 1.09626 89.2785 26.8591 2 -5 -2 12 1.09626 89.2785 26.8591 -2 5 2 12 1.09626 89.2785 26.8591 -2 -3 -2 12 1.09626 89.2785 26.8591 -3 5 -2 12 1.09626 89.2785 26.8591 -3 -2 2 12 1.09626 89.2785 26.8591 -5 2 2 12 1.09626 89.2785 26.8591 5 -3 2 12 1.09626 89.2785 26.8591 -5 3 -2 12 1.09626 89.2785 26.8591 4 0 -5 6 1.08626 90.325 8.50997 -4 0 5 6 1.08626 90.325 8.50997 4 -4 5 6 1.08626 90.325 8.50996 -4 4 -5 6 1.08626 90.325 8.50996 0 4 5 6 1.08626 90.325 8.50995 0 -4 -5 6 1.08626 90.325 8.50995 2 0 -10 6 1.08594 90.3592 115.148 2 -2 10 6 1.08594 90.3592 115.148 0 2 10 6 1.08594 90.3592 115.148 0 -2 -10 6 1.08594 90.3592 115.148 -2 2 -10 6 1.08594 90.3592 115.148 -2 0 10 6 1.08594 90.3592 115.148 1 0 -11 6 1.07622 91.4059 0.0581221 0 1 11 6 1.07622 91.4059 0.0581221 0 -1 -11 6 1.07622 91.4059 0.0581221 -1 0 11 6 1.07622 91.4059 0.0581221 1 -1 11 6 1.07622 91.4059 0.0581219 -1 1 -11 6 1.07622 91.4059 0.0581219 4 -1 -7 12 1.06405 92.7566 0.00730243 4 -3 7 12 1.06405 92.7566 0.00730243 1 3 7 12 1.06405 92.7566 0.00730243 -1 -3 -7 12 1.06405 92.7566 0.00730243 -4 3 -7 12 1.06405 92.7566 0.00730243 -4 1 7 12 1.06405 92.7566 0.00730243 3 1 -7 12 1.06405 92.7566 0.00730235 3 -4 7 12 1.06405 92.7566 0.00730235 1 -4 -7 12 1.06405 92.7566 0.00730235 -1 4 7 12 1.06405 92.7566 0.00730235 -3 4 -7 12 1.06405 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