论文信息 - ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for crystal structure illustrations

ORTEP-III: Oak Ridge Thermal Ellipsoid Plot Program for crystal structure illustrations

This report describes a computer program for drawing crystal structure illustrations. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can also produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study.

M. N. Burnett | C. K. Johnson | M. Burnett | Michael N. Burnett | Carroll K. Johnson

[1] R. R. Holmes,et al. Anisotropic Thermal Motion of Trigonal Bipyramidal Molecules from Spectroscopic Data. Pentacoordinated Molecules. XIII , 1969 .

[2] D. G. Beech,et al. Handbook of Statistical Tables. , 1962 .

[3] C. K. Johnson,et al. OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations , 1976 .

[4] B G Saunders. Stereoscopic drawing by computer--is it orthoscopic? , 1968, Applied optics.

[5] C. E. Springer,et al. Geometry and Analysis of Projective Spaces , 1967 .

[6] H. O. Posten. Multidimensional Gaussian Distributions , 1964 .

[7] E. Fleischer. X-Ray Structure Determination of Cubane , 1964 .

[8] John Heading,et al. Matrix Theory for Physicists , 1958 .

[9] DETERMINATION OF THE PRINCIPAL AXES OF THE ANISOTROPIC TEMPERATURE FACTOR , 1958 .

[10] J. D. Forrester,et al. Potassium Perxenate Nonahydrate , 1964 .

[11] H. Cramér. Random variables and probability distributions , 1937 .

[12] Granino A. Korn,et al. Mathematical handbook for scientists and engineers , 1961 .

[13] Eugene Lukacs,et al. Applications of characteristic functions , 1964 .

[14] J. Todd,et al. Projective and Analytical Geometry , 1948 .

[15] H. W. Turnbull,et al. Projective and Analytical Geometry , 1948 .

[16] Richard Stevens Burington,et al. Handbook of Probability and Statistics, with Tables , 1954 .