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Lillianite |
 |
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
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Locality: synthetic |
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Note: P = 0.0001 GPa |
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Note: occupancies not refined |
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_database_code_amcsd 0018400 |
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13.540 20.637 4.1103 90 90 90 Bbmm |
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atom x y z occ Uiso |
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PbM1 .09066 .13373 .5 .5 .0140 |
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BiM1 .09066 .13373 .5 .5 .0140 |
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BiM2 .36273 .04933 .5 .5 .01283 |
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PbM2 .36273 .04933 .5 .5 .01283 |
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PbM3 .32657 .25 0 .0371 |
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S1 .23628 .09544 0 .0236 |
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S2 0 0 .5 .0148 |
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S3 .18371 .25 .5 .0133 |
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S4 .45498 .16496 .5 .0160 |
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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
|
| |
|
Lillianite |
|
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
|
Locality: synthetic |
|
Note: P = 1.95 GPa |
|
Note: occupancies not refined |
|
_database_code_amcsd 0018401 |
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13.353 20.367 4.0615 90 90 90 Bbmm |
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atom x y z occ Uiso |
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PbM1 .08943 .13374 .5 .5 .0186 |
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BiM1 .08943 .13374 .5 .5 .0186 |
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BiM2 .36196 .04864 .5 .5 .0181 |
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PbM2 .36196 .04864 .5 .5 .0181 |
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PbM3 .3288 .25 0 .0312 |
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S1 .2359 .0972 0 .030 |
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S2 0 0 .5 .027 |
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S3 .1821 .25 .5 .020 |
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S4 .4525 .1687 .5 .018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lillianite |
|
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
|
Locality: synthetic |
|
Note: P = 2.90 GPa |
|
Note: occupancies not refined |
|
_database_code_amcsd 0018402 |
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13.280 20.260 4.0448 90 90 90 Bbmm |
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atom x y z occ Uiso |
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PbM1 .08904 .13358 .5 .5 .0176 |
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BiM1 .08904 .13358 .5 .5 .0176 |
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PbM2 .36155 .04829 .5 .5 .0172 |
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BiM2 .36155 .04829 .5 .5 .0172 |
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PbM3 .3291 .25 0 .0272 |
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S1 .2341 .0966 0 .024 |
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S2 0 0 .5 .027 |
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S3 .1804 .25 .5 .019 |
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S4 .4521 .1684 .5 .020 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lillianite |
|
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
|
Locality: synthetic |
|
Note: P = 3.73 GPa |
|
Note: occupancies not refined |
|
_database_code_amcsd 0018403 |
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13.216 20.163 4.03 90 90 90 Bbmm |
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atom x y z occ Uiso |
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PbM1 .08852 .13359 .5 .5 .0160 |
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BiM1 .08852 .13359 .5 .5 .0160 |
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PbM2 .36091 .04793 .5 .5 .0163 |
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BiM2 .36091 .04793 .5 .5 .0163 |
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PbM3 .3292 .25 0 .0249 |
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S1 .2341 .0981 0 .024 |
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S2 0 0 .5 .030 |
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S3 .1787 .25 .5 .017 |
|
S4 .4518 .1684 .5 .018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lillianite |
|
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
|
Locality: synthetic |
|
Note: P = 5.27 GPa |
|
Note: occupancies not refined |
|
Note: phase known as beta-Pb3Bi2S6 |
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_database_code_amcsd 0018404 |
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11.026 23.023 4.0233 90 90 90 Pbnm |
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atom x y z occ Uiso |
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PbM1 .149 .0297 .25 .5 .016 |
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BiM1 .149 .0297 .25 .5 .016 |
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PbM2 .3359 .3701 .75 .5 .0193 |
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BiM2 .3359 .3701 .75 .5 .0193 |
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PbM3 .0396 .4383 .25 .0182 |
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PbM4 .0150 .2781 .75 .5 .0188 |
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BiM4 .0150 .2781 .75 .5 .0188 |
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PbM5 .2235 .1477 .75 .5 .0161 |
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BiM5 .2235 .1477 .75 .5 .0161 |
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S1 .4790 .4392 .25 .012 |
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S2 .398 .1106 .25 .000 |
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S3 .083 .1845 .25 .018 |
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S4 .338 .2378 .75 .015 |
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S5 .165 .3451 .25 .003 |
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S6 .223 .4774 .75 .011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lillianite |
|
Olsen L A, Balic Zunic T, Makovicky E |
| |
Inorganic Chemistry 47 (2008) 6756-6762 |
|
High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, |
|
reversible phase transition with migration of chemical bonds |
|
Locality: synthetic |
|
Note: P = 7.92 GPa |
|
Note: occupancies not refined |
|
Note: phase known as beta-Pb3Bi2S6 |
|
_database_code_amcsd 0018405 |
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10.891 22.638 3.9926 90 90 90 Pbnm |
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atom x y z occ Uiso |
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PbM1 .1491 .0308 .25 .5 .0153 |
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BiM1 .1491 .0308 .25 .5 .0153 |
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PbM2 .3359 .3698 .75 .5 .019 |
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BiM2 .3359 .3698 .75 .5 .019 |
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PbM3 .0395 .4395 .25 .0165 |
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PbM4 .0157 .2768 .75 .5 .025 |
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BiM4 .0157 .2768 .75 .5 .025 |
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PbM5 .2249 .1463 .75 .5 .0142 |
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BiM5 .2249 .1463 .75 .5 .0142 |
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S1 .479 .4369 .25 .018 |
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S2 .401 .1108 .25 .005 |
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S3 .094 .1822 .25 .006 |
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S4 .336 .2393 .75 .007 |
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S5 .159 .3439 .25 .003 |
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S6 .22 .4803 .75 .012 |
|
|
| 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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