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|
# 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
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3 -5 2 12 1.09626 89.2785 26.8591
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2 -5 -2 12 1.09626 89.2785 26.8591
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5 -3 2 12 1.09626 89.2785 26.8591
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2 -2 10 6 1.08594 90.3592 115.148
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0 -2 -10 6 1.08594 90.3592 115.148
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3 -5 -4 12 1.04627 94.8201 46.6459
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2 -5 4 12 1.04627 94.8201 46.6459
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0 3 9 6 1.03645 96.0073 166.613
0 -3 -9 6 1.03645 96.0073 166.613
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3 -3 -9 6 1.03645 96.0073 118.3
0 3 -9 6 1.03645 96.0073 118.3
0 -3 9 6 1.03645 96.0073 118.3
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5 -4 3 12 1.02558 97.3663 16.7518
1 -5 -3 12 1.02558 97.3663 16.7518
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4 -5 3 12 1.02558 97.3663 16.7518
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4 -5 -3 12 1.02558 97.3663 1.84625
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1 -5 3 12 1.02558 97.3663 1.84625
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1 -3 10 12 1.0127 99.0381 2.81321
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4 -3 -8 12 1.00758 99.7221 8.18187
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3 -4 -8 12 1.00758 99.7221 8.18186
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1 3 -8 12 1.00758 99.7221 8.18186
1 -4 8 12 1.00758 99.7221 8.18186
-1 4 -8 12 1.00758 99.7221 8.18186
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0 2 -11 6 1.0048 100.099 14.2326
0 -2 11 6 1.0048 100.099 14.2326
-2 2 11 6 1.0048 100.099 14.2326
2 0 11 6 1.0048 100.099 14.2326
-2 0 -11 6 1.0048 100.099 14.2326
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