Joteite
Kampf A R, Mills S J, Housley R M, Rossman G R, Nash B P, Dini M, Jenkins R A
Mineralogical Magazine 77 (2013) 2811-2823
Joteite, Ca2CuAl[AsO4][AsO3(OH)]2(OH)2*5H2O, a new arsenate
with a sheet structure and unconnected acid arsenate groups
Locality: Jote mine, Tierra Amarilla, Copiapo Province, Atacama, Chile
_database_code_amcsd 0019980
6.0530 10.2329 12.9112 87.572 78.480 78.697 P-1
atom       x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    .1927 .93935 .81685  .0097  .0130  .0086  .0097 -.0049 -.0049  .0026
Ca2    .4829 .54746 .82364  .0103  .0116  .0085  .0103 -.0037  .0011 -.0014
Cu    .31806 .24809 .85644  .0067  .0045  .0036  .0123 -.0008 -.0023  .0007
Al1       .5      0      0  .0049  .0061  .0037  .0050 -.0018 -.0006  .0009
Al2        0     .5      0  .0033  .0052  .0015  .0030  .0007 -.0012 -.0003
As1   .78742 .24612 .93661 .00466  .0053  .0035  .0059 -.0021 -.0016 -.0001
As2   .78581 .75022 .86052  .0067  .0084  .0050  .0068 -.0013 -.0023  .0008
As3   .05410 .25036 .49586  .0101  .0111  .0114  .0074 -.0010 -.0019 -.0005
O1     .5949  .3163  .8631  .0086   .012   .008   .008  -.005  -.004   .007
O2     .0375  .1788  .8575  .0116   .010   .015   .012  -.004  -.004  -.002
O3     .6930  .1246  .0153  .0080   .009   .003   .012  -.004   .000   .000
O4     .1874  .6356  .9816  .0091   .007   .010   .010  -.002   .000  -.002
O5     .5812  .7642  .7898  .0082   .012   .002   .012  -.004  -.006   .000
O6     .7751  .8800  .9387  .0084   .008   .007   .013  -.001  -.007   .000
O7     .7713  .6074  .9327  .0072   .008   .005   .009  -.002  -.003   .003
OH8    .0545  .7398  .7814  .0103   .016   .013   .003  -.009   .002   .003
O9     .1992  .0992  .4613  .0175   .018   .016   .016   .003  -.002  -.006
O10    .8745  .2564  .6118  .0176   .016   .018   .014  -.002   .005   .002
O11    .9259  .3284  .4006  .0184   .020   .017   .017   .008  -.010  -.005
OH12   .2399  .3579  .5077  .0222   .028   .021   .023  -.019  -.005  -.001
OH13   .4666  .0615  .8632  .0063   .007   .003   .011  -.002  -.005  -.002
OH14   .1610  .4325  .8657  .0053   .005   .006   .006   .000  -.003   .000
Wat15  .4267  .2394  .6676  .0150   .011   .017   .021  -.006  -.008   .002
Wat16  .8802  .4721  .7208  .0136   .014   .010   .017  -.005  -.001  -.003
Wat17  .3668  .9723  .6373  .0187   .016   .028   .010   .001  -.001  -.006
Wat18  .4599  .5299  .6440  .0216   .016   .031   .016  -.002  -.003  -.005
Wat19  .8797  .0183  .7161  .0129   .018   .008   .012  -.004  -.002   .008