Ajoite
Pluth J J, Smith J V
Proceedings of the National Academy of Sciences 99 (2002) 11002-11005
Arizona porphyry copper/hydrothermal deposits II:
Crystal structure of ajoite, (K+Na)3Cu20Al3Si29O76(OH)16*~8H2O
_database_code_amcsd 0015331
13.634 13.687 14.522 110.833 107.208 105.680 P-1
atom      x      y      z occ Uiso
K     .4955 -.0269  .0001  .5  .38
Cu1   .0905  .2149  .4795      .06
Cu2   .2917  .1663  .4821      .06
Cu3  -.3123  .3137  .4739      .07
Cu4  -.1117  .2633  .4739      .07
Cu5   .6937  .0674  .4870      .07
Cu6  -.5122  .3618  .4779      .08
Cu7   .4904  .1143  .4814      .05
Cu8   .8985  .0236  .4971      .06
Cu9   .0948  .4663  .4917      .08
Cu10  .2895  .4106  .4811      .08
Si1   .6643  .3950  .7006      .05
Si2   .0701  .3064  .7035      .05
Si3   .4619  .4426  .7031      .07
Si4   .2748  .2604  .7058      .05
Si5  -.0713  .4667  .2873      .06
Si6   .1296  .4192  .2741      .08
Si7   .6719  .1773  .7118      .05
Si8   .7100 -.0524  .2641      .07
Si9   .5006 -.0103  .2554      .06
Si10  .8838  .1424  .7223      .06
Si11 -.2735  .2659  .2552      .07
Si12 -.2213  .0602  .1340  .5  .10
Al12 -.2213  .0602  .1340  .5  .10
Si13  .8941  .0292  .8708 .75  .09
Al13  .8941  .0292  .8708 .25  .09
Si14  .3420  .0763  .1332  .5  .11
Al14  .3420  .0763  .1332  .5  .11
Si15  .0095  .1594  .1263 .75  .10
Al15  .0095  .1594  .1263 .25  .10
Si16 -.4746  .3171  .2625      .07
O1    .0064  .2350  .5707      .06
O2    .2093  .1867  .5737      .06
O3    .6127  .0964  .5795      .08
O4    .7754  .0377  .3951      .09
OH5   .3784  .1511  .3979      .12
O6    .5675  .0819  .3852      .09
OH7   .4062  .1326  .5717      .10
OH8   .1812  .2064  .3988      .11
O9   -.2284  .2968  .3830      .14
OH10  .9850  .0041  .4113      .14
OH11 -.0152  .2624  .4004      .11
O12   .8203  .0566  .5921      .08
O13  -.4252  .3529  .3914      .11
OH14  .2084  .4287  .5734      .11
O15  -.0092  .5202  .4187      .08
O16   .6069  .3324  .5678      .08
O17   .4066  .3796  .5711      .07
OH18  .7972  .2725  .5554      .11
O19   .1816  .4601  .4041      .11
O20   .5889  .4500  .7500      .13
O21   .2109  .5035  .2467      .16
O22   .9944  .2541  .7561      .15
O23  -.1907  .3607  .2371      .16
O24   .7999  .1910  .7636      .15
O25   .6778  .3047  .7452      .15
O26   .2969  .0272 -.0006      .20
O27  -.0935  .5595  .2513      .16
O28   .9270  .0820  .7927      .18
O29   .6896 -.1836  .2402      .15
O30  -.2887  .1410  .1764      .17
O31  -.4690  .4287  .2449      .16
O32  -.3963  .2689  .2113      .12
O33   .0073  .4247  .2335      .16
O34   .9320 -.0756  .8510      .30
O35   .3984 -.1238  .2325      .14
O36   .1120  .2912  .2001      .19
O37   .4489  .0417  .1793      .12
O38  -.0901  .1485  .1699      .19
O39   .3887  .3713  .7466      .14
O40   .7808 -.0187  .2002      .16
O41   .5847 -.0557  .2126      .12
O42   .9606  .1315  .9971      .24
O43   .1918  .3038  .7518      .14
O44  -.6046  .2217  .1934      .17
O45   .7562 -.0253  .8291      .19
OH46 -.6211  .4054  .3988      .14
Wat1  .2462  .2448 -.0039      .73
Wat2  .1059  .3156 -.0031      .61