American Mineralogist Crystal Structure Database

1 matching records for this search.

Anatacamite
 
Malcherek T, Schluter J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=65&spage=334
Acta Crystallographica B65 (2009) 334-341
Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl
Locality: Sierra Gorda district, Chile
Note: Sample #1
_database_code_amcsd 0017758
9.1646 9.2029 9.2102 95.858 96.290 96.507 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)
Cu1a      .5     .5      .5 .0106  .0098  .0099  .0137  .0058  .0023  .0032
Cu2a      .5      0       0 .0157  .0139  .0138  .0176  .0007 -.0025 -.0005
Cu2b       0      0      .5 .0109  .0075  .0153  .0117  .0060  .0013  .0048
Cu2c       0     .5       0 .0139  .0110  .0133  .0146 -.0037 -.0030 -.0015
Cu3a  .74935 .24039  .00270 .0141  .0134  .0163  .0145  .0052  .0032  .0055
Cu3b  .25112 .00186  .73928 .0131  .0100  .0168  .0123  .0040 -.0028  .0028
Cu3c  .00059 .75035  .24784 .0132  .0141  .0171  .0096  .0048  .0038  .0021
Cu4a  .49964 .24961  .25234 .0129  .0135  .0148  .0111  .0036  .0028  .0018
Cu4b  .24664 .26012  .49839 .0142  .0128  .0157  .0171  .0091  .0040  .0062
Cu4c  .25123 .50173  .23909 .0133  .0113  .0171  .0119  .0053 -.0020  .0038
Cl1a  .19369 .19294  .19482 .0178  .0164  .0174  .0188  .0032 -.0014  .0010
Cl2a  .80723 .30762   .3036 .0181  .0166  .0187  .0187  .0040 -.0007  .0017
Cl2b  .30698 .30354  .80826 .0170  .0153  .0161  .0191  .0047 -.0023  .0021
Cl2c  .30599 .80371  .30886 .0170  .0150  .0162  .0195  .0044 -.0015  .0018
O1a    .5493  .0500   .2625 .0176  .0124   .019   .027  .0091  .0129  .0110
O1b    .0450  .2530   .5510 .0193   .016   .033  .0117   .012 -.0005  .0102
O1c    .2277  .5463   .0337 .0203   .018   .019   .023  .0064  .0027 -.0040
O2a    .9511  .2456   .9534 .0213   .019   .030   .019   .005  .0052  .0135
O2b    .2778  .9716   .9505 .0125  .0125   .013  .0147  .0060  .0054  .0073
O2c    .9614  .9606   .2782 .0166  .0063   .018   .027  .0013  .0057  .0022
O3a    .5387  .2200   .0402 .0166   .021   .016  .0147  .0105  .0007  .0069
O3b    .2221  .0445   .5317 .0162  .0122   .014   .022  .0008  .0038  .0014
O3c    .0393  .5395   .2168 .0119  .0060   .020  .0100  .0021 -.0003  .0054
O4a    .4536  .4515   .2475 .0192  .0059   .018   .035  .0039  .0041   .007
O4b    .4577  .2804   .4622 .0162  .0135   .021  .0149  .0032  .0009  .0071
O4c    .2722  .4698   .4500 .0125  .0206  .0066  .0125  .0063  .0020  .0063
H4b     .510   .214    .524  .048
H4a     .537   .531    .285  .048
H4c     .231   .549    .502  .048
H3a     .462   .266   -.013  .048
H1a     .497  -.021    .320  .048
H2b     .246   .069    .996  .048
H2a     .040   .211    .001  .048
H3c    -.036   .458    .203  .048
H1c     .246   .440    .006  .048
H3b     .285  -.012    .471  .048
H2c     .062   .020    .286  .048
H1b    -.012   .315    .494  .048
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