The B_5-model has the adsorbate (X) and Si_2a atoms interchanged.

The parameter increment is 0.001 Ang.

The covalent radius of the Al atoms was chosen to be 1.28 Ang.

Parameter | H_3 | T_4 | B_5 | H_3 | T_4 | B_5 | ||

- | Al | Al | Al | B | B | B | ||

| ||||||||
---|---|---|---|---|---|---|---|---|

Delta z_X (0 ) (Ang.) | +0.513 | +0.469 | +0.325 | -0.209 | -0.294 | +0.113 | ||

Delta z_Si(1 ) | -0.019 | -0.035 | +0.065 | -0.062 | -0.062 | -0.399 | ||

Delta r_Si(1 ) | -0.155 | -0.127 | -0.096 | -0.247 | -0.189 | -0.263 | ||

Delta z_Si(2a) | -0.006 | -0.311 | -0.338 | -0.010 | -0.404 | -0.362 | ||

Delta r_Si(2a) | +0.146 | - | - | +0.213 | - | - | ||

Delta z_Si(2b) | - | +0.124 | +0.159 | - | +0.149 | +0.034 | ||

Delta z_Si(3a) | -0.003 | -0.300 | -0.429 | -0.003 | -0.390 | -0.064 | ||

Delta r_Si(3a) | +0.008 | - | - | +0.012 | - | - | ||

Delta z_Si(3b) | - | +0.109 | +0.139 | - | +0.130 | +0.029 | ||

Delta z_Si(4a) | +0.009 | - | - | +0.013 | - | - | ||

Delta z_Si(4b) | -0.005 | - | - | -0.007 | - | - | ||

Delta r_Si(4a) | - | +0.078 | +0.100 | - | +0.094 | +0.020 |

Last Update: 6/21/96