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Nchwaningite |
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Nyfeler D, Armbruster T, Dixon R, Bermanec V |
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American Mineralogist 80 (1995) 377-386 |
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Nchwaningite, Mn2SiO3(OH)2.H2O, a new pyroxene-related chain silicate from the |
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N'chwaning mine, Kalahari manganese field, South Africa |
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_database_code_amcsd 0001731 |
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12.672 7.217 5.341 90 90 90 Pca2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn1 .18811 .82325 0 .0111 .0113 .077 .0002 .0003 .0010 |
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Mn2 .95789 .16870 -.0220 .0108 .0118 .0084 .0014 -.0005 -.0001 |
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Si .81410 -.2139 .1877 .0089 .0078 .0078 .0003 .0001 -.0002 |
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O1 .8171 .0097 .1733 .0131 .0079 .0090 .0005 -.0004 -.0004 |
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Oh2 .9258 -.0159 -.3282 .0117 .0119 .0123 .0003 -.0006 .0011 |
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Oh3 .6787 .3178 .3443 .0159 .008 .0127 -.0019 .0006 -.0005 |
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Oh4 .9459 .3418 .3336 .0171 .0130 .013 .0006 -.0036 -.0008 |
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O5 .9273 -.3084 .2310 .0104 .0116 .0132 .0013 -.0009 .0003 |
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O6 .7677 -.2847 -.0889 .0153 .0106 .0080 .0013 -.0021 -.0016 |
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H2 .881 -.109 .75 .02 |
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H3 .681 .452 .355 .02 |
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H4 .936 .472 .296 .02 |
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H41 .996 .338 .47 .02 |
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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 100 K |
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_database_code_amcsd 0001931 |
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5.837 7.211 8.693 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .02238 .37501 .67430 .0040 .0035 .0034 .0001 .0002 .0008 |
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Mn .74729 .25758 -.00353 .00218 .00282 .0030 -.0003 .0004 -.0001 |
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Si .5104 .63076 .8168 .0023 .0027 .0026 -.0006 -.0002 .0005 |
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H .030 .583 .033 .04 |
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O1 .4894 .4536 .9338 .0033 .0040 .0038 .0005 .0002 .0001 |
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O2 .0741 .7006 .0619 .0061 .0034 .0051 -.0002 -.0009 -.0015 |
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O3 .2708 .6578 .7220 .0025 .0042 .0034 .0008 -.0002 .0008 |
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O4 .7379 .6217 .7067 .0036 .0056 .0034 .0011 .0001 .0006 |
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O5 .0032 .3951 -.0601 .0031 .0038 .0047 -.0004 -.0008 .0003 |
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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 300 K |
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_database_code_amcsd 0001932 |
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5.842 7.228 8.704 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0219 .37462 .67420 .0090 .0072 .0059 .0006 0 .0016 |
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Mn .7473 .25740 -.00342 .0040 .0059 .0049 -.0003 .0001 -.0004 |
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Si .5102 .6301 .81659 .0037 .0054 .0050 .0003 0 0 |
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H .030 .583 .042 .07 |
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O1 .4898 .4535 .9332 .0064 .0070 .0066 .0003 .0005 .0006 |
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O2 .0716 .7020 .0624 .0130 .0061 .0092 -.0004 .0010 -.0018 |
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O3 .2714 .6573 .7222 .0045 .0076 .0070 .0004 -.0003 .0019 |
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O4 .7373 .6223 .7068 .0057 .0089 .0063 .0020 .0007 .0008 |
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O5 .0028 .3944 .9391 .0042 .0058 .0067 .0004 -.0012 .0014 |
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Mozartite |
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Nyfeler D, Hoffmann C, Armbruster T, Kunz M, Libowitzky E |
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American Mineralogist 82 (1997) 841-848 |
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Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A |
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single-crystal X-ray, FTIR, and structure modeling study |
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Sample: at T = 500 K |
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_database_code_amcsd 0001933 |
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5.846 7.248 8.726 90 90 90 P2_12_12_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .0210 .3746 .67425 .0156 .0125 .0085 .0008 .0004 .0019 |
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Mn .7477 .25699 -.00342 .0058 .0083 .0059 -.0005 .0007 -.0004 |
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Si .5096 .6290 .8163 .0072 .0082 .0069 -.0006 .0002 .0006 |
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H .060 .579 .031 .08 |
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O1 .4907 .4531 .9333 .0106 .0095 .0096 .001 .001 .0017 |
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O2 .0676 .7026 .0627 .023 .010 .013 .0002 .001 -.0047 |
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O3 .2721 .6552 .7219 .005 .016 .011 .0008 -.0015 .0009 |
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O4 .7368 .6221 .7072 .012 .015 .007 .003 .0010 .0014 |
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O5 .0027 .3933 -.0610 .0071 .0089 .010 -.001 -.002 .0005 |
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Cabalzarite |
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Brugger J, Meisser N, Schenk K, Berlepsch P, Bonin M, Armbruster T, Nyfeler D, Schmidt S |
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American Mineralogist 85 (2000) 1307-1314 |
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Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2, |
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a new mineral of the tsumcorite group |
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Locality: Falotta, Graubunden, Switzerland |
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Sample: CABA11.5, Lausanne |
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_database_code_amcsd 0002514 |
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8.925 6.143 7.352 90 115.25 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM1 0 0 0 .0090 .0106 .0088 .0100 0 .0067 0 |
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MgM2 .25 .25 .5 .392 .0040 .0033 .0041 .0038 .0006 .0007 -.0005 |
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AlM2 .25 .25 .5 .408 .0040 .0033 .0041 .0038 .0006 .0007 -.0005 |
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FeM2 .25 .25 .5 .177 .0040 .0033 .0041 .0038 .0006 .0007 -.0005 |
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MnM2 .25 .25 .5 .023 .0040 .0033 .0041 .0038 .0006 .0007 -.0005 |
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As .91597 .5 .20844 .00491 .0036 .0067 .0049 0 .00225 0 |
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Ow1 .3401 .5 .4089 .0102 .0067 .0182 .0060 0 .0031 0 |
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O2 .3168 0 .3648 .0098 .0078 .0133 .0113 0 .0071 0 |
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O3 .0371 .2771 .2519 .0084 .0078 .0075 .0103 .0011 .0039 .0004 |
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O4 .2402 .5 .0187 .0140 .0086 .024 .0065 0 .0001 0 |
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H11 .4278 .5 .4785 .5 .015 |
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H14 .3321 .5 .3058 .052 |
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| Download AMC data (View Text File)
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Cabalzarite |
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Brugger J, Meisser N, Schenk K, Berlepsch P, Bonin M, Armbruster T, Nyfeler D, Schmidt S |
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American Mineralogist 85 (2000) 1307-1314 |
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Description and crystal structure of cabalzarite Ca(Mg,Al,Fe)2(AsO4)2(H2O,OH)2, |
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a new mineral of the tsumcorite group |
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Locality: Falotta, Graubunden, Switzerland |
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Sample: CABA20, Bern |
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_database_code_amcsd 0002515 |
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8.9284 6.1314 7.3439 90 115.494 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaM1 0 0 0 .0154 .0183 .0143 .0160 0 .0096 0 |
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MgM2 .25 .25 .5 .410 .0100 .0100 .0106 .0116 .0004 .0039 .0000 |
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AlM2 .25 .25 .5 .420 .0100 .0100 .0106 .0116 .0004 .0039 .0000 |
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FeM2 .25 .25 .5 .040 .0100 .0100 .0106 .0116 .0004 .0039 .0000 |
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MnM2 .25 .25 .5 .130 .0100 .0100 .0106 .0116 .0004 .0039 .0000 |
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As .91648 .5 .20931 .0092 .0081 .0109 .0086 0 .0038 0 |
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O1 .3396 .5 .4103 .0166 .011 .025 .013 0 .0051 0 |
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O2 .3169 0 .3636 .0174 .017 .022 .017 0 .011 0 |
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O3 .0376 .2764 .2528 .0015 .015 .013 .017 .001 .0068 -.0004 |
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O4 .2385 .5 .0186 .0213 .018 .029 .013 0 .002 0 |
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H11 .450 .5 .43 .5 .07 |
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H14 .294 .5 .270 .03 |
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Kanoite |
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Gnos E, Armbruster T, Nyfeler D |
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European Journal of Mineralogy 8 (1996) 251-261 |
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Kanoite, donpeacorite and tirodite: Mn-Mg-silicates from a |
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manganiferous quartzite in the United Arab Emirates |
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Sample: pyroxene |
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Locality: manganiferous quartzite in the United Arab Emirates |
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_database_code_amcsd 0006620 |
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9.725 8.876 5.263 90 108.53 90 P2_1/c |
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atom x y z occ Uiso |
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MgM1 .25052 .6543 .2339 .976 .0047 |
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MnM1 .25052 .6543 .2339 .024 .0047 |
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CaM2 .25369 .02375 .23236 .07 .0093 |
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MnM2 .25369 .02375 .23236 .775 .0093 |
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MgM2 .25369 .02375 .23236 .155 .0093 |
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SiA .04156 .34113 .2711 .0068 |
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SiB .54704 .83886 .2389 .0071 |
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O1A .8666 .33715 .1652 .0087 |
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O1B .3720 .8377 .1340 .0089 |
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O2A .1179 .5020 .3232 .0104 |
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O2B .6242 .9938 .3591 .0122 |
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O3A .1039 .2608 .5708 .0111 |
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O3B .6048 .7158 .4900 .0110 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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