1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111
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# 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
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