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Text File  |  1996-05-20  |  5.1 KB  |  105 lines
  1.  POTASSIUM PERXENATE 9-HYDRATE/A.ZALKIN ET AL /(1964) JACS 86,3569
  2.     9.049   10.924   15.606      90.      90.      90.
  3.              .0  1  0  0             .0  0  1  0             .0  0  0  1
  4.              .0 -1  0  0             .0  0 -1  0             .5  0  0  1
  5.              .0 -1  0  0             .5  0  1  0             .0  0  0  1
  6. 1            .0  1  0  0             .5  0 -1  0             .5  0  0  1
  7.   XE                            .249     .988     .250
  8.       .10                                                     7
  9.   K1                            .628     .987     .339
  10.       .30                                                     7
  11.   K2                            .846     .238     .958
  12.       .30                                                     7
  13.   K3                            .307     .227     .026
  14.       .30                                                     7
  15.   K4                            .877     .989     .139
  16.       .30                                                     7
  17.   O1                            .403     .101     .251
  18.       .20                                                     7
  19.   O2                            .094     .878     .253
  20.       .20                                                     7
  21.   O3                            .138     .096     .316
  22.       .20                                                     7
  23.   O4                            .176     .058     .151
  24.       .20                                                     7
  25.   O5                            .323     .918     .351
  26.       .20                                                     7
  27.   O6                            .360     .881     .188
  28.       .20                                                     7
  29.   W1                            .654     .839     .190
  30.       .20                                                     7
  31.   W2                            .850     .136     .297
  32.       .20                                                     7
  33.   W3                            .873     .829     .369
  34.       .20                                                     7
  35.   W4                            .692     .046     .506
  36.       .20                                                     7
  37.   W5                            .997     .243     .111
  38.       .20                                                     7
  39.   W6                            .967     .980     .972
  40.       .20                                                     7
  41.   W7                            .376     .470     .002
  42.       .20                                                     7
  43.   W8                            .493     .262     .886
  44.       .20                                                     7
  45.   W9                            .606     .150     .124
  46.       .20                                                     7
  47.  ORGN                           .250     .500     .400
  48.       .10                                                     7
  49.                                 .000     .000     .000
  50. 1     .03                                                     7
  51.   3   201                                                      
  52. ***** INITIALILIZE CRT PLOT ***** 
  53.       301      4.4      6.0       12     0.50
  54.       303
  55.   3   401  2255501 -2266601
  56. ***** STORE UNIT CELL CORNERS FOR CELL OUTLINE *****
  57.   3   404       21       21        1        5      .13      .52      .57
  58. ***** STORE CENTRAL ATOMS OF POLYHEDRA ****
  59.   3   405        1        5        1       20     3.52
  60. ***** CONVOLUTE SPHERE OF ENCLOSURE WITH EACH CENTRAL ATOM *****
  61.       411   756404
  62.   3   501  2155501  2155501  2156501  2155501  2155601                 1
  63. ***** B AXIS HORIZONTAL, C AXIS VERTICAL, VIEWED ALONG -A AXIS *****
  64.   3   604
  65. ***** AUTOMATIC SCALE AND POSITION *****
  66.   3   503        2        3
  67. ***** STEREO ROTATION FOR LEFT EYE VIEW *****
  68.   3   601      2.2
  69. ***** SHIFT PICTURE ALONG POSITIVE X
  70.   3  1101
  71. ***** START SAVED SEQUENCE *****
  72.   2  1001        1
  73.   2       22 22 22 22  1   9.0  11.0   .01
  74.   2       22 22 22 22  1  15.0  16.0   .01
  75.   2        6 11  6 11  3   2.5   2.8   .04    -1     1   1.8   1.9
  76.   2        6 19  6 19  1   2.6   4.4   .02    -2     2   2.6   3.1
  77.   2       10 20 10 20  1   2.6   4.7   .02    -3     3   2.7  3.52
  78.   2        9 20  9 20  1   2.6  4.58   .02    -4     4   2.7   3.3
  79.            7 20  7 20  1   2.6   4.6   .02    -5     5   2.7   3.2
  80.       714
  81.   1   714
  82.   3                                1        5
  83. ***** DRAW METAL ATOMS SELECTIVELY *****
  84.   2   812
  85.   2       22 22 22 22  1   9.0  11.0   .01
  86.   2       22 22 22 22  1  15.0  16.0   .01
  87.   2        6 11  6 11  3   2.5   2.8   .04    -1     1   1.8   1.9
  88.   2        6 19  6 19  1   2.6   4.4   .02    -2     2   2.6   3.1
  89.   2       10 20 10 20  1   2.6   4.7   .02    -3     3   2.7  3.52
  90.   2        9 20  9 20  1   2.6  4.58   .02    -4     4   2.7   3.3
  91.   3        7 20  7 20  1   2.6   4.6   .02    -5     5   2.7   3.2
  92. ***** DRAW POLYHEDRA AND CELL OUTLINE *****
  93.   3   902  2155501               2.5      0.6      .11
  94. POTASSIUM PERXENATE 9-HYDRATE
  95.   3  1102
  96. ***** END SAVED SEQUENCE *****
  97.   3   202      3.6
  98. ***** ADVANCE PLOTTER FOR RIGHT EYE VIEW *****
  99.   3   503        2       -3
  100. ***** STEREO ROTATION FOR RIGHT EYE VIEW *****
  101.   3  1103
  102. ***** REPEAT SAVED SEQUENCE
  103.       202           
  104.        -1
  105.