这个结构有7层,每层有1,1,3,3,6,6,10个点,共30个点。
30个点的坐标是
{0.0,0.0,6.12372435695795},
{0.0,0.0,0.0},
{-2.8868,-5.0,-2.04124145231931},
{-2.8868,5.0,-2.04124145231931},
{5.773503,0.0,-2.04124145231931},
{-2.8868,-5.0,-8.164965809277259},
{-2.8868,5.0,-8.164965809277259},
{5.773503,0.0,-8.164965809277259},
{-5.7736,-10.0,-10.20620726159657},
{-5.7736,0.0,-10.20620726159657},
{2.886703,-5.0,-10.20620726159657},
{-5.7736,10.0,-10.20620726159657},
{2.886703,5.0,-10.20620726159657},
{11.547006,0.0,-10.20620726159657},
{-5.7736,-10.0,-16.329931618554518},
{-5.7736,0.0,-16.329931618554518},
{2.886703,-5.0,-16.329931618554518},
{-5.7736,10.0,-16.329931618554518},
{2.886703,5.0,-16.329931618554518},
{11.547006,0.0,-16.329931618554518},
{-8.6604,-15.0,-18.371173070873827},
{-8.6604,-5.0,-18.371173070873827},
{-9.700000000023579E-5,-10.0,-18.371173070873827},
{-8.6604,5.0,-18.371173070873827},
{-9.700000000023579E-5,0.0,-18.371173070873827},
{8.660205999999999,-5.0,-18.371173070873827},
{-8.6604,15.0,-18.371173070873827},
{-9.700000000023579E-5,10.0,-18.371173070873827},
{8.660205999999999,5.0,-18.371173070873827},
{17.320509,0.0,-18.371173070873827},
也可以看作3层甲烷状结构累加而成
其中最上面甲烷分子5个点坐标是
{0.0,0.0,6.12372435695795},
{0.0,0.0,0.0},
{-2.8868,-5.0,-2.04124145231931},
{-2.8868,5.0,-2.04124145231931},
{5.773503,0.0,-2.04124145231931},
这5个点之间的距离为
0 1 6.12372435695795
2 1 6.123747292848281
3 1 6.123747292848281
4 1 6.123724647440938
0 2 10.00001404532347
0 3 10.00001404532347
0 4 10.00000017788378
2 3 10.0
2 4 10.00004240250055
3 4 10.00004240250055
四面体边长10.0000,键长6.1237.