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Pentlandite |
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Rajamani V, Prewitt C T |
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American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Frood, at 24 deg C |
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_database_code_amcsd 0000437 |
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10.038 10.038 10.038 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .441 .55 |
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Ni1 .5 .5 .5 .538 .55 |
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Co1 .5 .5 .5 .008 .55 |
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Fe2 .12608 .12608 .12608 .441 .42 .00106 .00106 .00106 .00008 .00008 .00008 |
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Ni2 .12608 .12608 .12608 .538 .42 .00106 .00106 .00106 .00008 .00008 .00008 |
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Co2 .12608 .12608 .12608 .008 .42 .00106 .00106 .00106 .00008 .00008 .00008 |
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S1 .25 .25 .25 .58 |
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S2 .2632 0 0 .42 .0009 .0011 .0011 0 0 0 |
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Pentlandite |
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Rajamani V, Prewitt C T |
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American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Frood, at 200 deg C |
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_database_code_amcsd 0000438 |
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10.158 10.158 10.158 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .441 1.37 |
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Ni1 .5 .5 .5 .538 1.37 |
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Co1 .5 .5 .5 .008 1.37 |
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Fe2 .1265 .1265 .1265 .441 .00291 .00291 .00291 0.0001 0.0001 0.0001 |
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Ni2 .1265 .1265 .1265 .538 .00291 .00291 .00291 0.0001 0.0001 0.0001 |
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Co2 .1265 .1265 .1265 .008 .00291 .00291 .00291 0.0001 0.0001 0.0001 |
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S1 .25 .25 .25 1.31 |
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S2 .2598 0 0 .0023 .0030 .0030 0 0 0 |
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| |
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Pentlandite |
|
Rajamani V, Prewitt C T |
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American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Frood, at 24 deg C after heating |
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_database_code_amcsd 0000439 |
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10.093 10.093 10.093 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .441 .77 |
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Ni1 .5 .5 .5 .538 .77 |
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Co1 .5 .5 .5 .008 .77 |
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Fe2 .12632 .12632 .12632 .441 .00184 .00184 .00184 .00008 .00008 .00008 |
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Ni2 .12632 .12632 .12632 .538 .00184 .00184 .00184 .00008 .00008 .00008 |
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Co2 .12632 .12632 .12632 .008 .00184 .00184 .00184 .00008 .00008 .00008 |
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S1 .25 .25 .25 .83 |
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S2 .2604 0 0 .0015 .0019 .0019 0 0 0 |
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Pentlandite |
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Rajamani V, Prewitt C T |
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American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Outokumpu, at 24 deg C |
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_database_code_amcsd 0000440 |
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9.977 9.977 9.977 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .181 .55 |
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Ni1 .5 .5 .5 .202 .55 |
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Co1 .5 .5 .5 .619 .55 |
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Fe2 .12617 .12617 .12617 .181 .00124 .00124 .00124 .00006 .00006 .00006 |
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Ni2 .12617 .12617 .12617 .202 .00124 .00124 .00124 .00006 .00006 .00006 |
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Co2 .12617 .12617 .12617 .619 .00124 .00124 .00124 .00006 .00006 .00006 |
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S1 .25 .25 .25 .62 |
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S2 .2623 0 0 .00093 .00138 .00138 0 0 0 |
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|
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| |
|
Pentlandite |
|
Rajamani V, Prewitt C T |
|
American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Outokumpu, at 235 deg C |
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_database_code_amcsd 0000441 |
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10.004 10.004 10.004 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .181 1.01 |
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Ni1 .5 .5 .5 .202 1.01 |
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Co1 .5 .5 .5 .619 1.01 |
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Fe2 .12626 .12626 .12626 .181 .00226 .00226 .00226 .0001 .0001 .0001 |
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Ni2 .12626 .12626 .12626 .202 .00226 .00226 .00226 .0001 .0001 .0001 |
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Co2 .12626 .12626 .12626 .619 .00226 .00226 .00226 .0001 .0001 .0001 |
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S1 .25 .25 .25 1.15 |
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S2 .2622 0 0 .0020 .0022 .0022 0 0 0 |
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| |
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Pentlandite |
|
Rajamani V, Prewitt C T |
|
American Mineralogist 60 (1975) 39-48 |
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Thermal expansion of the pentlandite structure |
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Outokumpu, at 350 deg C |
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_database_code_amcsd 0000442 |
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10.031 10.031 10.031 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .181 1.24 |
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Ni1 .5 .5 .5 .202 1.24 |
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Co1 .5 .5 .5 .619 1.24 |
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Fe2 .12639 .12639 .12639 .181 .0030 .0030 .0030 .00015 .00015 .00015 |
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Ni2 .12639 .12639 .12639 .202 .0030 .0030 .0030 .00015 .00015 .00015 |
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Co2 .12639 .12639 .12639 .619 .0030 .0030 .0030 .00015 .00015 .00015 |
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S1 .25 .25 .25 1.41 |
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S2 .2618 0 0 .0022 .0029 .0029 0 0 0 |
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View JMOL 3-D Structure
|
| |
|
Pentlandite |
|
Rajamani V, Prewitt C T |
|
American Mineralogist 60 (1975) 39-48 |
|
Thermal expansion of the pentlandite structure |
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Outokumpu, at 24 deg C after heating |
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_database_code_amcsd 0000443 |
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9.969 9.969 9.969 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 .5 .5 .5 .181 .66 |
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Ni1 .5 .5 .5 .202 .66 |
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Co1 .5 .5 .5 .619 .66 |
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Fe2 .12615 .12615 .12615 .181 .0014 .0014 .0014 .00011 .00011 .00011 |
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Ni2 .12615 .12615 .12615 .202 .0014 .0014 .0014 .00011 .00011 .00011 |
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Co2 .12615 .12615 .12615 .619 .0014 .0014 .0014 .00011 .00011 .00011 |
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S1 .25 .25 .25 .76 |
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S2 .2624 0 0 .0014 .0014 .0014 0 0 0 |
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Liebenbergite |
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Rajamani V, Brown G E, Prewitt C T |
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American Mineralogist 60 (1975) 292-299 |
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Cation ordering in Ni-Mg olivine |
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_database_code_amcsd 0000455 |
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4.7366 10.1716 5.9374 90 90 90 Pbnm |
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atom x y z occ Biso |
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Si .4260 .0937 .25 .30 |
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Ni1 0 0 0 .767 .26 |
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Mg1 0 0 0 .233 .26 |
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Ni2 .9907 .2750 .25 .263 .27 |
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Mg2 .9907 .2750 .25 .737 .27 |
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O1 .7672 .0931 .25 .44 |
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O2 .2193 .4451 .25 .42 |
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O3 .2755 .1625 .0316 .45 |
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|
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View JMOL 3-D Structure
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| |
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Pentlandite |
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Rajamani V, Prewitt C T |
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The Canadian Mineralogist 12 (1973) 178-187 |
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Crystal chemistry of natural pentlandite |
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Locality: Frood Mine, Ontario, Canada |
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_database_code_amcsd 0005095 |
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10.038 10.038 10.038 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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FeMO .5 .5 .5 .7 .55 |
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NiMO .5 .5 .5 .3 .55 |
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NiMT .12608 .12608 .12608 .58 .42 .00106 .00106 .00106 .00008 .00008 .00008 |
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FeMT .12608 .12608 .12608 .41 .42 .00106 .00106 .00106 .00008 .00008 .00008 |
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S1 .25 .25 .25 .58 |
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S2 .2632 0 0 .42 .0009 .0011 .0011 0 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pentlandite |
|
Rajamani V, Prewitt C T |
|
The Canadian Mineralogist 12 (1973) 178-187 |
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Crystal chemistry of natural pentlandite |
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Locality: Outokumpu, Finland |
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_database_code_amcsd 0005096 |
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9.977 9.977 9.977 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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FeMO .5 .5 .5 .7 .55 |
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NiMO .5 .5 .5 .3 .55 |
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NiMT .12617 .12617 .12617 .58 .49 .00124 .00124 .00124 .00006 .00006 .00006 |
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FeMT .12617 .12617 .12617 .41 .49 .00124 .00124 .00124 .00006 .00006 .00006 |
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S1 .25 .25 .25 .621 |
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S2 .2623 0 0 .49 .00093 .00138 .00138 0 0 0 |
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|
| Download AMC data (View Text File)
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| |
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Millerite |
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Rajamani V, Prewitt C T |
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The Canadian Mineralogist 12 (1974) 253-257 |
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The crystal structure of millerite |
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_database_code_amcsd 0005098 |
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9.6190 9.6190 3.1499 90 90 120 R3m |
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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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Ni -.08781 .08781 .088 .53 .0017 .0017 .0153 .0008 0 0 |
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S .1124 -.1124 .6164 .56 .0024 .0024 .013 .0017 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cobalt pentlandite |
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Rajamani V, Prewitt C T |
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The Canadian Mineralogist 13 (1975) 75-78 |
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Refinement of the structure of Co9S8 |
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_database_code_amcsd 0005105 |
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9.923 9.923 9.923 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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CoM .5 .5 .5 .45 |
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CoT .12623 .12623 .12623 .98 .00117 .00117 .00117 .00006 .00006 .00006 |
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S1 .25 .25 .25 .51 |
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S2 .2623 0 0 .00074 .00117 .00117 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cobaltpentlandite |
|
Rajamani V, Prewitt C T |
|
The Canadian Mineralogist 13 (1975) 75-78 |
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Refinement of the structure of Co9S8 |
|
_database_code_amcsd 0005106 |
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9.923 9.923 9.923 90 90 90 Fm3m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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CoM .5 .5 .5 .45 |
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CoT .12623 .12623 .12623 .98 .00117 .00117 .00117 .00006 .00006 .00006 |
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S1 .25 .25 .25 .51 |
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S2 .2623 0 0 .00074 .00117 .00117 0 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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