American Mineralogist Crystal Structure Database

20 matching records for this search.

Kapundaite
 
Mills S J, Birch W D, Kampf A R, Christy A G, Pluth J J, Pring A,
Raudsepp M, Chen Y S
 
American Mineralogist 95 (2010) 754-760
Kapundaite, (Na,Ca)2Fe3+4(PO4)4(OH)3*5H2O, a new phosphate species from
Toms quarry, South Australia: Description and structural
relationship to melonjosephite
Locality: Toms quarry, South Australia
_database_code_amcsd 0018799
6.317 7.698 9.768 105.53 99.24 90.09 P-1
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na    .439 .7184 .4298 .67 .056    .12   .016   .028   .004   .009   .008
Ca    .439 .7184 .4298 .33 .056    .12   .016   .028   .004   .009   .008
Fe1     .5     0     0     .013    .02   .018   .004  -.009   .002   .003
Fe2      0     0     0     .017    .03   .017   .003   .003   .002   .004
Fe3  .7976 .6972 .1730     .024    .02   .016   .033  -.003   .010   .003
P1    .177 .8785 .7118     .015    .01   .013   .026   .005   .009   .005
P2    .278 .6868 .1002     .021    .02   .012   .033   .002   .006   .010
O1    .832  .940  .323     .021    .02   .020   .024  -.010  -.003   .008
O2    .157  .723  .572     .023    .03   .015   .028   .001   .014  -.001
O3    .011  .143  .204     .034    .06   .019   .029   .002   .018   .007
O4    .414  .861  .802     .046    .09   .019   .026  -.025  -.007   .004
O5    .482  .686  .191     .019
O6    .114  .683  .195     .020
O7    .771  .463  .038     .024
O8    .262  .871  .059     .017    .01   .018   .031   .002   .009   .012
OH    .242  .165  .976     .027    .03   .029   .027  -.013  -.003   .013
Wat1  .831  .611  .372     .035    .07   .024   .023   .002   .007   .019
Wat2  .351  .394  .349      .05    .08   .044   .036   -.02   .005   .004
Wat3  .669  .979  .584      .06    .11   .011   .054    .02   .005   .013
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 297 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020094
7.2913 7.2913 17.1744 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K         0       0       0     .0160  .0185  .0185  .0112  .0092       0      0
Fe       .5       0      .5 .93 .0056  .0036  .0018  .0108 .00088 -.00010 -.0002
Al       .5       0      .5 .07 .0056  .0036  .0018  .0108 .00088 -.00010 -.0002
S         0       0  .30862     .0074  .0059  .0059  .0102 .00297       0      0
O1        0       0   .6065     .0127  .0143  .0143  .0095  .0072       0      0
O2   .22287 -.22287 -.05403     .0114  .0131  .0131  .0122  .0096  -.0006  .0006
O3   .12713 -.12713  .13553     .0102  .0062  .0062  .0176  .0026   .0021 -.0021
H1     .188   -.188    .112      .044
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 253 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020095
7.2931 7.2931 17.1456 90 90 120 R-3m
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K         0       0       0      .0137  .0151  .0151  .0108  .0076      0      0
Fe       .5       0      .5 .93 .00447  .0026  .0013  .0091 .00065 .00003 .00007
Al       .5       0      .5 .07 .00447  .0026  .0013  .0091 .00065 .00003 .00007
S         0       0  .30880      .0066  .0054  .0054  .0091 .00270      0      0
O1        0       0  .60621      .0102  .0107  .0107  .0090  .0054      0      0
O2   .22272 -.22272 -.05393      .0106  .0115  .0115  .0127  .0087 -.0007  .0007
O3   .12679 -.12679  .13548      .0090  .0056  .0056  .0149  .0021  .0013 -.0013
H1     .186   -.186    .113       .030
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 213 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020096
7.2918 7.2918 17.1235 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
K         0       0       0     .0117  .0127  .0127  .0098  .0063       0      0
Fe       .5       0      .5 .93 .0038  .0020  .0009  .0081 .00044 -.00005 -.0001
Al       .5       0      .5 .07 .0038  .0020  .0009  .0081 .00044 -.00005 -.0001
S         0       0  .30890     .0057  .0044  .0044  .0085 .00219       0      0
O1        0       0   .6059     .0100  .0105  .0105  .0090  .0053       0      0
O2   .22258 -.22258 -.05377     .0088  .0098  .0098  .0101  .0072   .0001 -.0001
O3   .12696 -.12696  .13539     .0082  .0053  .0053  .0135  .0022   .0011 -.0011
H1     .188   -.188    .113      .032
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 173 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020097
7.2918 7.2918 17.1026 90 90 120 R-3m
atom      x       y       z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K         0       0       0     .0097  .0106  .0106  .0079  .0053       0       0
Fe       .5       0      .5 .93 .0031  .0014  .0004  .0072 .00021 -.00001 -.00001
Al       .5       0      .5 .07 .0031  .0014  .0004  .0072 .00021 -.00001 -.00001
S         0       0  .30903     .0052  .0040  .0040  .0076 .00200       0       0
O1        0       0  .60547     .0089  .0085  .0085  .0098  .0043       0       0
O2   .22269 -.22269 -.05367     .0080  .0083  .0083  .0105  .0065  -.0002   .0002
O3   .12696 -.12696  .13533     .0073  .0041  .0041  .0133  .0017   .0012  -.0012
H1     .189   -.189    .113      .036
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Jarosite
Download hom/jarosite.pdf
Mills S J, Nestola F, Kahlenberg V, Christy A G, Hejny C, Redhammer G J
 
American Mineralogist 98 (2013) 1966-1971
Looking for jarosite on Mars: The low-temperature crystal structure of jarosite
Note: T = 133 K
Locality: Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain
_database_code_amcsd 0020098
7.2907 7.2907 17.0900 90 90 120 R-3m
atom      x       y       z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
K         0       0       0      .0076  .0080  .0080  .0066  .0040       0       0
Fe       .5       0      .5 .93 .00252  .0008     00  .0065 .00001 -.00006 -.00011
Al       .5       0      .5 .07 .00252  .0008     00  .0065 .00001 -.00006 -.00011
S         0       0  .30918      .0046  .0032  .0032  .0075 .00158       0       0
O1        0       0  .60530      .0078  .0070  .0070  .0093  .0035       0       0
O2   .22253 -.22253 -.05352      .0069  .0062  .0062  .0098  .0041      00      00
O3   .12697 -.12697  .13524      .0064  .0041  .0041  .0115  .0024   .0012  -.0012
H1     .188   -.188    .114       .018
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Parnauite
Download hom/parnauite.pdf
Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G
 
European Journal of Mineralogy 25 (2013) 693-704
The crystal structure of parnauite: a copper arsenate-sulphate
with translational disorder of structural rods
Locality: Majuba Hill, Nevada, USA
_database_code_amcsd 0020147
3.0113 14.259 14.932 90 90 90 Pmn2_1
atom   x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1    0  .1379  .2337     .0170  .0096  .0332  .0082      0      0  .0020
Cu2   .5 -.2549  .0515     .0244  .0228  .0326  .0176      0      0 -.0008
Cu3    0 -.3268  .8733     .0222  .0150  .0334  .0183      0      0  .0016
Cu4   .5  .0716  .0548     .0242  .0135   .051  .0082      0      0 -.0035
Cu5    0 -.2118  .2232  .5  .048   .070   .047   .026      0      0  -.004
Cu6    0  .0423 -.1297  .5 .0180   .025   .028   .001      0      0  -.002
As1    0 -.1059  .1853  .5 .0257   .029   .030   .018      0      0  -.004
As2    0 -.0780 -.0789  .5 .0154   .012   .022   .012      0      0  -.001
O1    .5  .1721  .1517      .016
O2     0 -.0875 -.1905      .025
O3     0  .0064  .1356      .029
O4     0 -.1956 -.0236      .044
O5    .5 -.3575 -.0423      .026
O6    .5 -.1605  .1511      .033
O7     0  -.298   .119      .084
O8    .5 -.0191 -.0467      .029
O9     0 -.1060  .3002      .044
O10    0  .2927  .2970      .017
O11    0   .142  -.020      .087
Wat1   0   .396   .061      .129
Wat2   0  -.500   .830      .109
Wat3   0  -.503   .177       .17
Wat4   0  -.316   .310      .150
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Parnauite
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Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G
 
European Journal of Mineralogy 25 (2013) 693-704
The crystal structure of parnauite: a copper arsenate-sulphate
with translational disorder of structural rods
Locality: Cap Garonne, Var, France
_database_code_amcsd 0020148
3.0088 14.212 14.890 90 90 90 Pmn2_1
atom   x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cu1    0  .1382  .2329     .0322   .019   .062   .015      0      0   .006
Cu2   .5 -.2571  .0528     .0410   .043   .052   .028      0      0  -.005
Cu3    0 -.3280  .8717     .0380   .025   .074   .015      0      0  -.001
Cu4   .5  .0714  .0559     .0431   .023   .090   .016      0      0   .000
Cu5    0 -.2135  .2260  .5  .062   .072   .073   .041      0      0   .006
Cu6    0  .0401 -.1313  .5  .051   .064   .072   .016      0      0  -.023
As1    0 -.1062  .1873  .5  .043   .037   .074   .019      0      0  -.007
As2    0 -.0777 -.0768  .5  .031   .038   .035   .019      0      0  -.003
O1    .5   .164   .147      .037
O2     0  -.085  -.186      .032
O3     0   .014   .129      .036
O4     0  -.187  -.019      .073
O5    .5 -.3589 -.0478      .017
O6    .5  -.168   .148      .053
O7     0  -.309   .121      .082
O8    .5  -.021  -.049      .031
O9     0  -.107   .303      .070
O10    0   .294   .298      .039
O11A   0   .185  -.040 .15   .08
O11B   0   .115  -.020 .85  .085
Wat1   0  -.320   .335  .5   .12
Wat2   0   .393   .051  .5  .036
Wat3   0  -.501   .823 .15  .044
Wat4A  0  -.377   .146 .15   .06
Wat4B  0  -.482   .163 .35   .03
Wat5  .5  -.453  -.120  .5  .034
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Parnauite
Download hom/parnauite.pdf
Mills S J, Kampf A R, McDonald A M, Bindi L, Christy A G, Kolitsch U, Favreau G
 
European Journal of Mineralogy 25 (2013) 693-704
The crystal structure of parnauite: a copper arsenate-sulphate
with translational disorder of structural rods
Note: theoretical data
_database_code_amcsd 0020149
6.02 13.99 15.42 90 90 90.01 P2_1
atom      x     y     z occ
As1   .8750 .8941 .1856
As2   .8750 .9220 .9215
Cu1   .8750 .1382 .2334
Cu2   .1250 .7450 .0516
Cu3   .8750 .6733 .8732
Cu4   .1250 .0716 .0551  .5
Cu5   .3750 .7884 .2232
Cu6   .3750 .0429 .8701
Cu1a  .3750 .1382 .2334
Cu2a  .6250 .7450 .0516  .5
Cu3a  .3750 .6733 .8732
Cu4a  .6250 .0716 .0551
O1    .1250 .1717 .1526
O2    .8750 .9121 .8114
O3    .8750 .0081 .1330
O4    .8750 .8082 .9732
O5    .1250 .6438 .9568
O6    .1250 .8391 .1482
O7    .8750 .6960 .1210  .5
O8    .1250 .9784 .9534
O9    .8750 .8931 .3025
O10   .8750 .2934 .2978
O11   .8750 .1410 .9810  .5
O12   .6250 .5500 .0700  .5
O13   .6250 .2950 .0350  .5
O1a   .6250 .1717 .1526
O2a   .3750 .9121 .8114
O3a   .3750 .0081 .1330
O4a   .3750 .8082 .9732
O5a   .6250 .6438 .9568
O6a   .6250 .8391 .1482
O7a   .3750 .6960 .1210  .5
O7ab  .4250 .6800 .1000  .5
O7b   .8300 .6800 .1000
O8a   .6250 .9784 .9534
O9a   .3750 .8931 .3025
O10a  .3750 .2934 .2978
O11a  .3750 .1410 .9810  .5
O11ab .4250 .1450 .0300  .5
O11b  .8250 .1450 .0300  .5
OW1   .1250 .3980 .0580
OW2   .8750 .5050 .8360
OW3   .1250 .4980 .1720
OW4   .8750 .6838 .3103
OW1a  .6250 .3980 .0580 .5
OW2a  .3750 .5050 .8360
OW3a  .6250 .4980 .1720 .5
OW4a  .3750 .6838 .3103
S1    .6250 .6500 .0550 .5
S2    .6250 .1950 .0580 .5
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Favreauite
 
Mills S J, Kampf A R, Christy A G, Housley R M, Thorne B, Chen Y S, Steele I M
 
European Journal of Mineralogy 26 (2014) 771-781
Favreauite, a new selenite mineral from the El Dragon mine, Bolivia
Note: T = 100 K
Locality: El Dragon mine, Potosi Department, Bolivia
_database_code_amcsd 0020444
9.860 9.860 9.700 90 90 90 *P4/n
.25 -.25 0
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1     .75    .25      1   .95 .01474 .01472 .01472  .0148      0      0      0
Ca1     .75    .25      1   .17 .01474 .01472 .01472  .0148      0      0      0
Bi2     .75    .75 .51701    .9 .00427 .00424 .00424  .0043      0      0      0
Cu1      .5     .5     .5 .9683  .0096  .0120  .0094  .0075 -.0039  .0013  .0013
Cu2  .73943 .51655 .27943 .9683 .01080  .0094  .0128  .0102 -.0001  .0006 -.0047
Se   .56624 .53945 .82772       .00979  .0105  .0104  .0084 -.0047 -.0003 -.0009
O1    .6097  .6215  .3859        .0071   .007   .006   .008 -.0026 -.0005 -.0002
O2    .3974  .5656  .8447        .0192   .007   .029   .022   .000  -.002  -.012
O3    .6010  .5667  .6605        .0253   .026   .041   .008  -.024   .000   .007
O4    .5787  .3661  .8419        .0183   .021   .014   .019  -.001  -.015   .000
Wat5    .25    .25  .8979         .030   .034   .034   .021      0      0      0
OH6   .6781  .3367  .4365   .20   .063   .047   .084   .059   .050   .033   .043
OH7     .75    .25     .5   .20   .033   .032   .032   .033      0      0      0
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.425
_database_code_amcsd 0008983
4.8495 5.4635 5.0462 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .2015  .25 .575
TiM     0 .2015  .25 .425
O    .270  .399 .429
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.450
_database_code_amcsd 0008984
4.8349 5.4801 5.0439 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .2011  .25 .550
TiM     0 .2011  .25 .450
O    .269  .400 .434
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.500
_database_code_amcsd 0008985
4.8069 5.4785 5.0339 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1992  .25 .500
TiM     0 .1992  .25 .500
O    .271  .398 .432
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.548
_database_code_amcsd 0008986
4.7762 5.5010 5.0253 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1947  .25 .452
TiM     0 .1947  .25 .548
O    .268  .401 .429
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.600
_database_code_amcsd 0008987
4.7447 5.4925 5.0119 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1949  .25 .400
TiM     0 .1949  .25 .600
O    .270  .393 .428
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.650
_database_code_amcsd 0008988
4.7200 5.5078 5.0018 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1905  .25 .350
TiM     0 .1905  .25 .650
O    .273  .395 .431
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Srilankite
Download hom/srilankite.pdf
Troitzsch U, Christy A G, Ellis D J
 
Physics and Chemistry of Minerals 32 (2005) 504-514
The crystal structure of disordered (Zr,Ti)O2 solid solution
Sample: XTi = 0.666
_database_code_amcsd 0008989
4.7112 5.4944 4.9962 90 90 90 Pbcn
atom    x     y    z  occ
ZrM     0 .1915  .25 .334
TiM     0 .1915  .25 .666
O    .270  .389 .430
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Zincalstibite
 
Mills S J, Christy A G, Kampf A R, Housley R M, Favreau G, Boulliard J C, Bourgoin V
 
Mineralogical Magazine 76 (2012) 1337-1345
Zincalstibite-9R: the first nine-layer polytype with the layered double
hydroxide structure-type
Locality: Monte Avanza mine, Udine Province, Italy
_database_code_amcsd 0019586
5.340 5.340 88.01 90 90 120 R-3
atom     x      y       z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
ZnM1   1/3    2/3     1/6 .70 .036   .030   .030   .049   .015      0      0
AlM1   1/3    2/3     1/6 .30 .036   .030   .030   .049   .015      0      0
ZnM2     0      0  .16691 .76 .036   .030   .030   .048  .0151      0      0
AlM2     0      0  .16691 .24 .036   .030   .030   .048  .0151      0      0
ZnM3   2/3    1/3  .05575 .73 .036   .029   .029   .049   .015      0      0
AlM3   2/3    1/3  .05575 .27 .036   .029   .029   .049   .015      0      0
CuM4     0      0  .05535 .74 .033   .027   .027   .045  .0135      0      0
AlM4     0      0  .05535 .26 .033   .027   .027   .045  .0135      0      0
CuM5   1/3    2/3  .05548 .69 .031   .026   .026   .042  .0131      0      0
AlM5   1/3    2/3  .05548 .31 .031   .026   .026   .042  .0131      0      0
Sb1      0      0  .11113  .5 .041   .043   .043   .037  .0217      0      0
Sb2    2/3    1/3 -.00001  .5 .075   .076   .076   .074  .0379      0      0
Sb3    1/3    2/3  .11114  .5 .018   .020   .020   .015  .0099      0      0
OH1   .003   .335  .15519     .043   .033   .039   .058   .018   .003   .002
OH2   .664  -.003  .06687     .050   .041   .038   .071   .020   .000  -.001
OH3   .666   .667  .04421     .049   .036   .037   .071   .015   .002  -.001
OH4   .193  -.140  .12495  .5 .059
OH5   .668   .863  .09753  .5 .059
OH6   .000   .520 -.01376  .5 .066
OH4'  .479   .011   .1244 .25 .036
OH5'  .531   .014   .0980 .25 .045
OH6'  .143   .810  -.0140 .25 .033
OH4"  .342   .150   .1246 .25 .068
OH5"  .806   .148   .0976 .25 .065
OH6"  .860   .666  -.0140 .25 .041
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Mojaveite
 
Mills S J, Kampf A R, Christy A G, Housley R M, Rossman G R, Reynolds R E, Marty J
 
Mineralogical Magazine 78 (2014) 1325-1340
Bluebellite and mojaveite, two new minerals from the
central Mojave Desert, California, USA
Locality: Blue Bell claims, San Bernardino County, California, USA
_database_code_amcsd 0020532
8.316 8.316 13.202 90 90 120 R3
atom    x    y    z occ
Cu1  .293 .401 .965
Cu2  .703 .580 .001
Te      0    0    0
O1   .122 .486 .920
O2    2/3  1/3 .959
O3   .193 .101 .916
O4   .465 .389 .065
O5   .065 .242 .083
Cl    1/3  2/3 .074
H1   .183 .530 .847
H2    2/3  1/3 .880
H3   .127 .293 .153 2/3
H4   .436 .382 .139
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Bluebellite
 
Mills S J, Kampf A R, Christy A G, Housley R M, Rossman G R, Reynolds R E, Marty J
 
Mineralogical Magazine 78 (2014) 1325-1340
Bluebellite and mojaveite, two new minerals from the
central Mojave Desert, California, USA
Locality: Blue Bell claims, San Bernardino County, California, USA
_database_code_amcsd 0020533
8.3017 8.3017 13.259 90 90 120 R3
atom    x    y    z
Cu1  .289 .376 .026
Cu2  .689 .568 .053
I       0    0    0
O1   .122 .493 .976
O2    2/3  1/3 .993
O3   .252 .129 .950
O4   .456 .356 .121
O5   .072 .219 .124
Cl    1/3  2/3 .104
H1   .051 .465 .911
H2    2/3  1/3 .915
H3   .051 .150 .189
H4   .461 .313 .193
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 20
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