American Mineralogist Crystal Structure Database

5 matching records for this search.

Clinoatacamite
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Grice J D, Szymanski J T, Jambor J L
Download cm/vol34/CM34_73.pdf
The Canadian Mineralogist 34 (1996) 73-78
The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl
_database_code_amcsd 0005478
6.144 6.805 9.112 90 99.55 90 P2_1/n
atom     x      y     z  Uiso
Cu1      0     .5    .5 .0144
Cu2      0      0     0 .0168
Cu3  .2586  .2384 .7485 .0155
O1   .2998  .2962 .5470  .022
O2   .4190 -.0141 .7727  .022
O3   .2596  .6792 .5372  .019
Cl   .1116 -.0038 .3068 .0187
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Clinoatacamite
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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: Vendida mine, Sierra Gorda district, Chile
Note: Sample #1
_database_code_amcsd 0017749
6.1675 6.8327 9.1517 90 99.492 90 P2_1/n
atom       x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1        0     .5     .5  .0119  .0131  .0091 -.0014  .0005  .0004
Cu2        0      0      0  .0127  .0113  .0125  .0010  .0051  .0000
Cu3   .25920 .23666 .74865  .0153  .0114  .0097  .0018  .0029  .0017
O1     .3068  .2917  .5480  .0253  .0138  .0110 -.0061  .0054 -.0017
O2     .4221  .9822  .7757  .0139  .0123  .0125  .0001  .0043 -.0005
O3     .2577  .6798  .5400  .0160  .0135  .0109  .0005  .0026  .0024
H1      .281   .181   .486   .026      0      0      0      0      0
H2      .552   .982   .727   .026      0      0      0      0      0
H3      .246   .795   .477   .026      0      0      0      0      0
Cl     .1117 .99576 .30678  .0164  .0168  .0148 -.0007  .0008  .0009
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Clinoatacamite
Download hom/clinoatacamite.pdf
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: Santa Catalina mine, Sierra Gorda district, Chile
Note: Sample #2
_database_code_amcsd 0017750
6.1226 6.8346 9.1841 90 99.577 90 P2_1/n
atom       x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1        0     .5     .5  .0130  .0139  .0129 -.0006  .0033 -.0004
Cu2        0      0      0  .0161  .0164  .0156 -.0001  .0067 -.0003
Cu3   .25292 .24557 .74944  .0181  .0127  .0156  .0008  .0057  .0013
O1     .2809  .3056  .5432   .035   .021   .019  -.013   .011  -.007
O2   .415658  .9945  .7679   .017   .015   .040   .002   .015  -.002
O3     .2675  .6845  .5410   .029   .016   .019   .006   .010   .005
H1       .22    .20    .47    .16      0      0      0      0      0
H2      .580   .993    .78    .16      0      0      0      0      0
H3       .23    .79    .47    .16      0      0      0      0      0
Cl     .1124  .9986  .3061  .0181  .0187  .0173  .0002  .0039  .0008
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Clinoatacamite
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Wills A S, Henry J Y
 
Journal of Physics: Condensed Matter 20 (2008) 472206-8
On the crystal and magnetic ordering structures of clinoatacamite,
gamma-Cu2(OD)3Cl, a proposed valence bond solid
Locality: synthetic
_database_code_amcsd 0017751
6.15175 6.81606 9.10541 90 99.8394 90 P2_1/n
atom      x      y      z   Uiso
Cu1   .2413  .7656 .25141 .01182
Cu2      .5      0      0 .01182
Cu3       0      0      0 .01182
O1    .0794  .0192 .22345 .01248
O2    .2590  .8204 .03972 .01248
O3    .3097  .2092 .04964 .01248
D1   .72018  .6854 .02134  .0228
D2   .76153  .2920 .02739  .0228
D3   .55273  .5220 .23068  .0228
Cl   .61199 .99559 .30733 .01248
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Clinoatacamite
Download hom/clinoatacamite.pdf
Zheng X G, Kawae T, Kashitani Y, Li C S, Tateiwa N,
Takeda K, Yamada H, Xu C N, Ren Y
 
Physical Review B71 (2005) 052409-4
Unconventional magnetic transitions in the mineral clinoatacamite
Locality: synthetic
_database_code_amcsd 0017752
6.1637 6.8166 9.1140 90 99.6515 90 P2_1/n
atom     x      y     z  Uiso
Cu1      0     .5    .5 .0072
Cu2      0      0     0 .0072
Cu3  .2590  .2358 .7468 .0072
OH1   .311  .2883 .5513 .0126
OH2  .4255  -.008 .7789 .0126
OH3  .2523  .6844 .5362 .0126
Cl   .1130 -.0044 .3080 .0141
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Total number of retrieved datasets: 5
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