File: C_diamond.lau

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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