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NaGaSi2O6 |
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Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
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Redhammer G J |
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American Mineralogist 92 (2007) 560-569 |
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Low-temperature behavior of NaGaSi2O6 |
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Sample: T = 295 K |
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_database_code_amcsd 0004307 |
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9.5531 8.6983 5.2684 90 107.629 90 C2/c |
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atom x y z Uiso |
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Na 0 .30038 .25 .0108 |
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Ga 0 .90189 .25 .00348 |
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Si .29116 .09112 .23220 .00314 |
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O1 .11188 .07804 .13365 .0044 |
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O2 .35874 .25894 .30170 .0062 |
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O3 .35265 .00957 .00787 .0055 |
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NaGaSi2O6 |
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Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
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Redhammer G J |
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American Mineralogist 92 (2007) 560-569 |
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Low-temperature behavior of NaGaSi2O6 |
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Sample: T = 235 K |
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_database_code_amcsd 0004308 |
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9.5494 8.6924 5.2673 90 107.631 90 C2/c |
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atom x y z Uiso |
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Na 0 .30046 .25 .0090 |
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Ga 0 .90210 .25 .00294 |
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Si .29119 .09122 .23236 .00274 |
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O1 .11199 .07797 .13373 .0037 |
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O2 .35868 .25913 .30187 .0053 |
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O3 .35284 .00984 .00773 .0048 |
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View JMOL 3-D Structure
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NaGaSi2O6 |
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Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
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Redhammer G J |
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American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
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Sample: T = 190 K |
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_database_code_amcsd 0004309 |
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9.5472 8.6894 5.2667 90 107.632 90 C2/c |
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atom x y z Uiso |
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Na 0 .30051 .25 .0074 |
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Ga 0 .90219 .25 .00244 |
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Si .29119 .09127 .23241 .00237 |
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O1 .11191 .07803 .13350 .0032 |
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O2 .35878 .25935 .30219 .0046 |
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O3 .35285 .00980 .00769 .0041 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaGaSi2O6 |
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Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
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Redhammer G J |
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American Mineralogist 92 (2007) 560-569 |
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Low-temperature behavior of NaGaSi2O6 |
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Sample: T = 145 K |
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_database_code_amcsd 0004310 |
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9.5453 8.6864 5.2662 90 107.630 90 C2/c |
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atom x y z Uiso |
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Na 0 .30047 .25 .0062 |
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Ga 0 .90232 .25 .00201 |
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Si .29121 .09129 .23263 .00206 |
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O1 .11187 .07812 .13369 .0030 |
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O2 .35880 .25936 .30240 .0039 |
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O3 .35303 .00986 .00795 .0036 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaGaSi2O6 |
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Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
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Redhammer G J |
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American Mineralogist 92 (2007) 560-569 |
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Low-temperature behavior of NaGaSi2O6 |
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Sample: T = 110 K |
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_database_code_amcsd 0004311 |
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9.5442 8.6849 5.2662 90 107.628 90 C2/c |
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atom x y z Uiso |
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Na 0 .30058 .25 .0052 |
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Ga 0 .90238 .25 .00163 |
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Si .29125 .09128 .23264 .00183 |
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O1 .11190 .07820 .13385 .00276 |
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O2 .35882 .25945 .30267 .0034 |
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O3 .35297 .00994 .00775 .0032 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Jadeite |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd100Ae0 |
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_database_code_amcsd 0004445 |
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9.4278 8.5651 5.2262 90 107.624 90 C2/c |
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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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NaM2 0 .3002 .25 .0108 .0146 .0075 .0090 0 -.0006 0 |
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AlM1 0 .90604 .25 .0043 .0048 .0044 .0042 0 .0012 0 |
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SiT .29072 .09342 .22822 .00383 .0039 .0040 .0041 -.0003 .0010 -.0004 |
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O1 .1092 .0760 .1284 .0049 .0043 .0053 .0054 -.0004 .0009 -.0003 |
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O2 .3610 .2634 .2935 .0070 .0076 .0052 .0084 -.0020 .0022 -.0004 |
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O3 .3536 .0071 .0067 .0065 .0059 .0083 .0059 .0006 .0013 -.0025 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Jadeite |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd74Ae26 |
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_database_code_amcsd 0004446 |
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9.4781 8.6180 5.2449 90 107.570 90 C2/c |
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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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NaM2 0 .30029 .25 .0114 .0143 .0076 .0094 0 -.0008 0 |
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AlM1 0 .90369 .25 .74 .00494 .0050 .0047 .0050 0 .0012 0 |
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Fe3+M1 0 .90369 .25 .26 .00494 .0050 .0047 .0050 0 .0012 0 |
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SiT .29055 .09232 .22978 .00443 .0042 .0046 .0045 -.00024 .00125 -.00023 |
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O1 .11032 .07663 .1303 .0063 .0046 .0069 .0070 .0001 .0014 -.0001 |
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O2 .36029 .26139 .2952 .0078 .0094 .0052 .0085 -.0019 .0027 -.0007 |
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O3 .35324 .00755 .0075 .0068 .0062 .0085 .0057 .0001 .0019 -.0021 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Aegirine |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd35Ae65 |
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_database_code_amcsd 0004447 |
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9.5663 8.7040 5.2733 90 107.600 90 C2/c |
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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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NaM2 0 .29844 .25 .0118 .0140 .0095 .0086 0 -.0014 0 |
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AlM1 0 .90134 .25 .35 .00542 .0053 .0053 .0054 0 .00117 0 |
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Fe3+M1 0 .90134 .25 .65 .00542 .0053 .0053 .0054 0 .00117 0 |
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SiT .29075 .09083 .23362 .00500 .0046 .0053 .0051 -.00007 .00150 -.00021 |
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O1 .11233 .07785 .1345 .0078 .0052 .0086 .0094 .0006 .0018 -.0002 |
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O2 .35929 .25862 .2992 .0096 .0118 .0061 .0109 -.0020 .0033 -.0010 |
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O3 .35289 .00802 .0111 .0078 .0065 .0104 .0064 .0008 .0018 -.0021 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Aegirine |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd0Ae100 |
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_database_code_amcsd 0004448 |
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9.6623 8.8000 5.2956 90 107.579 90 C2/c |
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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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NaM2 0 .2961 .25 .0116 .0132 .0125 .0062 0 -.0031 .0000 |
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Fe3+M1 0 .89921 .25 .0049 .0052 .0046 .0051 0 .00039 0 |
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SiT .29115 .08942 .23765 .0049 .0046 .0047 .0054 -.0006 .0006 -.00022 |
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O1 .1146 .0789 .1393 .0067 .0052 .0080 .0070 -.0001 .0006 .0011 |
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O2 .3591 .2556 .3032 .0097 .0107 .0063 .0125 -.0033 .0033 -.0014 |
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O3 .3526 .0080 .0146 .0079 .0068 .0107 .0063 .000 .0009 -.0029 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Jadeite |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd53Hd47 |
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_database_code_amcsd 0004449 |
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9.6031 8.7735 5.2656 90 106.725 90 C2/c |
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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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NaM2 0 .30094 .25 .53 .0124 .0165 .0093 .0090 0 -.0001 0 |
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CaM2 0 .30094 .25 .47 .0124 .0165 .0093 .0090 0 -.0001 0 |
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FeM2' 0 .257 .25 .03 .007 |
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AlM1 0 .90504 .25 .52 .0074 .0075 .0080 .0065 0 .0019 0 |
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Fe2+M1 0 .90504 .25 .48 .0074 .0075 .0080 .0065 0 .0019 0 |
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SiT .28845 .09209 .22982 .0066 .0068 .0077 .0056 .0003 .0025 -.0011 |
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O1 .1126 .0808 .1366 .0143 .0069 .0191 .0168 .0024 .0030 -.0046 |
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O2 .3600 .2554 .3079 .0131 .0190 .0095 .0102 -.0004 .0032 -.0012 |
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O3 .3518 .0133 .0013 .0098 .0090 .0128 .0080 .0010 .0033 -.0022 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Hedenbergite |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
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American Mineralogist 92 (2007) 1492-1501 |
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The crystal structures of pyroxenes along the jadeite - hedenbergite and |
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jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd24Hde76 |
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_database_code_amcsd 0004450 |
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9.7340 8.9103 5.2682 90 105.904 90 C2/c |
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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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NaM2 0 .30061 .25 .24 .0114 .0137 .0090 .0092 0 -.0005 0 |
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CaM2 0 .30061 .25 .76 .0114 .0137 .0090 .0092 0 -.0005 0 |
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AlM1 0 .90603 .25 .24 .0075 .0074 .0073 .0071 0 .0009 0 |
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Fe2+M1 0 .90603 .25 .76 .0075 .0074 .0073 .0071 0 .0009 0 |
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SiT .28782 .09199 .2317 .0069 .0064 .0082 .0060 .0002 .0017 -.0006 |
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O1 .1165 .0853 .1451 .0142 .0095 .0203 .0129 .0016 .0031 -.0028 |
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O2 .3609 .2510 .3166 .0136 .0201 .0091 .0112 -.0007 .0035 -.0006 |
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O3 .3510 .0160 -.0016 .0099 .0094 .0128 .0076 .0002 .0026 -.0027 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Hedenbergite |
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Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
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Locality: synthetic |
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Sample: Jd0Hd100 |
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_database_code_amcsd 0004451 |
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9.8447 9.0234 5.2509 90 104.862 90 C2/c |
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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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CaM2 0 .30034 .25 .99 .00873 .0104 .0073 .0073 0 .0001 0 |
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FeM2' 0 .242 .25 .01 .0065 |
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Fe2+M1 0 .90741 .25 .00635 .0067 .0058 .0063 0 .0011 0 |
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SiT .28786 .09244 .23259 .0050 .0050 .0052 .0048 -.0002 .0012 -.0004 |
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O1 .1194 .0901 .1519 .0074 .0056 .0093 .0072 .0001 .0016 .0000 |
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O2 .3630 .2465 .3237 .0097 .0122 .0068 .0096 .0029 .0019 -.0010 |
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O3 .3502 .0198 -.0066 .0079 .0067 .0100 .0070 -.0001 .0017 -.0024 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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