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Troilite |
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Skala R, Cisarova I, Drabek M |
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American Mineralogist 91 (2006) 917-921 |
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Inversion twinning in troilite |
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Sample: Etter |
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_database_code_amcsd 0004158 |
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5.9650 5.9650 11.7570 90 90 120 P-62c |
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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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Fe1 .3791 .0549 .12303 .0152 .0183 .0155 .0130 .0093 -.0003 -.0009 |
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S1 0 0 0 .0136 .0115 .0115 .0178 .00575 0 0 |
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S2 1/3 2/3 .0198 .0125 .0114 .0114 .0147 .0057 0 0 |
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S3 .6653 -.0035 .25 .0130 .0129 .0110 .0149 .0059 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Troilite |
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Skala R, Cisarova I, Drabek M |
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American Mineralogist 91 (2006) 917-921 |
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Inversion twinning in troilite |
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Sample: Georgetown |
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_database_code_amcsd 0004159 |
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5.9650 5.9650 11.7590 90 90 120 P-62c |
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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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Fe1 .3788 .0548 .12311 .0145 .0177 .0153 .0119 .0093 -.0004 -.0009 |
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S1 0 0 0 .0125 .0101 .0101 .0175 .00505 0 0 |
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S2 1/3 2/3 .0200 .0112 .0099 .0099 .0138 .00495 0 0 |
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S3 .6652 -.0033 .25 .0118 .0120 .0110 .0127 .0059 0 0 |
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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 (permalink) |
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Troilite |
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Skala R, Cisarova I, Drabek M |
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American Mineralogist 91 (2006) 917-921 |
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Inversion twinning in troilite |
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Sample: Synthetic |
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_database_code_amcsd 0004160 |
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5.9660 5.9660 11.7650 90 90 120 P-62c |
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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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Fe1 .3786 .0546 .12302 .0180 .0215 .0182 .0154 .0108 -.0006 -.0013 |
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S1 0 0 0 .0172 .0161 .0161 .0194 .00805 0 0 |
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S2 1/3 2/3 .0198 .0149 .0146 .0146 .0157 .00785 0 0 |
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S3 .6656 -.0029 .25 .0150 .0141 .0144 .0172 .0075 0 0 |
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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 (permalink) |
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Troilite |
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King H E, Prewitt C T |
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Acta Crystallographica B38 (1982) 1877-1887 |
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High-pressure and high-temperature polymorphism of iron sulfides (FeS) |
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Sample: T = 294 K, P = 0.0001 GPa |
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_database_code_amcsd 0009769 |
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5.963 5.963 11.754 90 90 120 P-62c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .3787 .0553 .12300 .988 .0128 .01111 .00086 .0064 -.0001 -.0002 |
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S1 0 0 0 .77 .008 .008 .0011 .004 0 0 |
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S2 1/3 2/3 .0208 .78 .0089 .0089 .0008 .00445 0 0 |
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S3 .6648 -.0041 .25 .79 .0084 .0079 .0011 .0039 0 0 |
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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 (permalink) |
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Troilite |
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King H E, Prewitt C T |
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Acta Crystallographica B38 (1982) 1877-1887 |
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High-pressure and high-temperature polymorphism of iron sulfides (FeS) |
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Sample: T = 393 K, P = 0.0001 GPa |
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_database_code_amcsd 0009770 |
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5.999 5.999 11.71 90 90 120 P-62c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .3739 .0502 .1230 1.71 .0171 .0147 .0036 .0097 -.0001 .0003 |
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S1 0 0 0 .96 .0098 .0098 .0014 .0049 0 0 |
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S2 1/3 2/3 .0186 1.2 .0089 .0089 .0032 .00445 0 0 |
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S3 .6658 -.0030 .25 1.3 .010 .0088 .0031 .0047 0 0 |
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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 (permalink) |
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Troilite |
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King H E, Prewitt C T |
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Acta Crystallographica B38 (1982) 1877-1887 |
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High-pressure and high-temperature polymorphism of iron sulfides (FeS) |
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Sample: T = 294 K, P = 3.33 GPa |
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_database_code_amcsd 0009771 |
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5.861 5.861 11.577 90 90 120 P-62c |
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atom x y z Biso |
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Fe .3779 .0556 .1228 1.09 |
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S1 0 0 0 .8 |
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S2 1/3 2/3 .0227 .85 |
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S3 .665 -.0056 .25 .68 |
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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 (permalink) |
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Troilite |
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Alsen N |
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Geologiska Foreningens i Stockholm Forhandlingar 47 (1925) 19-73 |
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Roentgenographische Untersuchungen der Kristallstrukturen von |
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Magnetkies, Breithauptit, Pentlandit, Millerit und verwandten |
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Verbindungen |
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_cod_database_code 1011180 |
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_database_code_amcsd 0018055 |
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3.43 3.43 5.79 90 90 120 P6_3/mmc |
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atom x y z |
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Fe1 0 0 0 |
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S1 1/3 2/3 .25 |
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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 (permalink) |
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Troilite 2H |
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Bertaut F |
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Journal de Physique et du Radium 15 (1954) 775-775 |
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La structure de sulfure de fer |
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_cod_database_code 1009043 |
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_database_code_amcsd 0016904 |
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5.968 5.968 11.74 90 90 120 P-62c |
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atom x y z |
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Fe1 .36 .04 .125 |
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S1 0 0 0 |
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S2 1/3 2/3 .016 |
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S3 2/3 0 .25 |
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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 (permalink) |
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