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Pyrope |
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Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, |
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Eeckhout S G |
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American Mineralogist 91 (2006) 1230-1239 |
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Site preference and local geometry of Sc in garnets: Part I. |
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Multifarious mechanisms in the pyrope-grossular join |
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Locality: synthetic |
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Sample: prp |
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_database_code_amcsd 0004180 |
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11.4940 11.4940 11.4940 90 90 90 Ia-3d |
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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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MgX .125 0 .25 .90 .89 .00101 .00202 .00202 0 0 .00048 |
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ScX .125 0 .25 .10 .89 .00101 .00202 .00202 0 0 .00048 |
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AlY 0 0 0 .47 .00089 .00089 .00089 .00001 .00001 .00001 |
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SiT .375 0 .25 .95 .40 .00073 .00077 .00077 0 0 0 |
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MgT .375 0 .25 .05 .40 .00073 .00077 .00077 0 0 0 |
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O .03290 .05061 .65349 .59 .00113 .00135 .00089 .00010 -.00015 -.00001 |
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Grossular |
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Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, |
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Eeckhout S G |
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American Mineralogist 91 (2006) 1230-1239 |
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Site preference and local geometry of Sc in garnets: Part I. |
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Multifarious mechanisms in the pyrope-grossular join |
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Locality: synthetic |
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Sample: prp |
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_database_code_amcsd 0004181 |
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11.8830 11.8830 11.8830 90 90 90 Ia-3d |
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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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CaX .125 0 .25 .95 .51 .00064 .00104 .00104 0 0 .00023 |
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ScX .125 0 .25 .05 .51 .00064 .00104 .00104 0 0 .00023 |
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AlY 0 0 0 .93 .44 .00079 .00079 .00079 .00003 .00003 .00003 |
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ScY 0 0 0 .07 .44 .00079 .00079 .00079 .00003 .00003 .00003 |
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SiT .375 0 .25 .95 .61 .00096 .00115 .00115 0 0 0 |
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ScT .375 0 .25 .05 .61 .00096 .00115 .00115 0 0 0 |
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O .03803 .04587 .65194 .52 .00095 .00101 .00081 .00017 .00002 .00003 |
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Andradite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
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Site preference and local geometry of Sc in garnets: Part II. |
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The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Sample: adr100 |
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_database_code_amcsd 0004182 |
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12.0578 12.0578 12.0578 90 90 90 Ia-3d |
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atom x y z Biso |
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CaX .125 0 .25 .50 |
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FeY 0 0 0 .35 |
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SiZ .375 0 .25 .27 |
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O .03940 .04870 .65540 .50 |
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Andradite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
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Site preference and local geometry of Sc in garnets: Part II. |
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The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr90CaSc10 |
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_database_code_amcsd 0004183 |
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12.0748 12.0748 12.0748 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .50 |
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FeY 0 0 0 .90 .36 |
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ScY 0 0 0 .10 .36 |
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SiZ .375 0 .25 .42 |
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O .03924 .04892 .65571 .40 |
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Andradite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
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The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr80CaSc20 |
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_database_code_amcsd 0004184 |
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12.0938 12.0938 12.0938 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .53 |
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FeY 0 0 0 .80 .39 |
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ScY 0 0 0 .20 .39 |
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SiZ .375 0 .25 .39 |
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O .03945 .04890 .65598 .49 |
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View JMOL 3-D Structure
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Andradite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
|
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr70CaSc30 |
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_database_code_amcsd 0004185 |
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12.1128 12.1128 12.1128 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .52 |
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FeY 0 0 0 .72 .37 |
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ScY 0 0 0 .28 .37 |
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SiZ .375 0 .25 .38 |
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O .03950 .04910 .65636 .48 |
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|
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View JMOL 3-D Structure
|
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Andradite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
|
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr50CaSc50 |
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_database_code_amcsd 0004186 |
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12.1493 12.1493 12.1493 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .54 |
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FeY 0 0 0 .51 .39 |
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ScY 0 0 0 .49 .39 |
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SiZ .375 0 .25 .41 |
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O .03965 .04935 .65696 .50 |
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|
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View JMOL 3-D Structure
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Ca3Sc1.36Fe.64Si3O12 |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
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The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr30CaSc70 |
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_database_code_amcsd 0004187 |
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12.1917 12.1917 12.1917 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .55 |
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ScY 0 0 0 .68 .39 |
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FeY 0 0 0 .32 .39 |
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SiZ .375 0 .25 .40 |
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O .03980 .04966 .65758 .51 |
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|
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Ca3Sc1.74Fe.26Si3O12 |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
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The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: adr10CaSc90 |
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_database_code_amcsd 0004188 |
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12.2273 12.2273 12.2273 90 90 90 Ia-3d |
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atom x y z occ Biso |
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CaX .125 0 .25 .52 |
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ScY 0 0 0 .87 .36 |
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FeY 0 0 0 .13 .36 |
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SiZ .375 0 .25 .38 |
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O .04004 .05005 .65812 .42 |
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View JMOL 3-D Structure
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Eringaite |
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Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
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American Mineralogist 91 (2006) 1240-1248 |
|
Site preference and local geometry of Sc in garnets: Part II. |
|
The crystal-chemistry of octahedral Sc in the andradite-Ca3Sc2Si3O12 join |
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Locality: synthetic |
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Sample: CaSc100 |
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_database_code_amcsd 0004189 |
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12.2500 12.2500 12.2500 90 90 90 Ia-3d |
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atom x y z Biso |
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CaX .125 0 .25 .38 |
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ScY 0 0 0 .38 |
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SiZ .375 0 .25 .38 |
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O .04004 .05010 .65887 .38 |
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|
| Download AMC data (View Text File)
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Melanite |
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Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A |
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Physics and Chemistry of Minerals 29 (2002) 495-502 |
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Characterization of trace Nd and Ce site preference and coordination in natural |
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melanites: a combined X-ray diffraction and high-energy XAFS study |
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Sample: A204 |
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_database_code_amcsd 0008658 |
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12.124 12.124 12.124 90 90 90 Ia-3d |
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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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CaX 1/8 0 1/4 .9707 .75 .0009 .0015 .0015 0 0 .0004 |
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NaX 1/8 0 1/4 .0083 .75 .0009 .0015 .0015 0 0 .0004 |
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ZrX 1/8 0 1/4 .0130 .75 .0009 .0015 .0015 0 0 .0004 |
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SrX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004 |
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YX 1/8 0 1/4 .0023 .75 .0009 .0015 .0015 0 0 .0004 |
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CeX 1/8 0 1/4 .0010 .75 .0009 .0015 .0015 0 0 .0004 |
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NdX 1/8 0 1/4 .0010 .75 .0009 .0015 .0015 0 0 .0004 |
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SmX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004 |
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GdX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004 |
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DyX 1/8 0 1/4 .0003 .75 .0009 .0015 .0015 0 0 .0004 |
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AlY 0 0 0 .1400 .55 .0009 .0009 .0009 0 0 0 |
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FeY 0 0 0 .6680 .55 .0009 .0009 .0009 0 0 0 |
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MnY 0 0 0 .0095 .55 .0009 .0009 .0009 0 0 0 |
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MgY 0 0 0 .0730 .55 .0009 .0009 .0009 0 0 0 |
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SiZ 3/8 0 1/4 .7790 .50 .0007 .0009 .0009 0 0 0 |
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TiZ 3/8 0 1/4 .2963 .50 .0007 .0009 .0009 0 0 0 |
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O .0377 .0481 .6536 .96 .0020 .0015 .0014 -.0003 .0004 -.0001 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melanite |
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Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A |
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Physics and Chemistry of Minerals 29 (2002) 495-502 |
|
Characterization of trace Nd and Ce site preference and coordination in natural |
|
melanites: a combined X-ray diffraction and high-energy XAFS study |
|
Sample: V19 |
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_database_code_amcsd 0008659 |
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12.127 12.127 12.127 90 90 90 Ia-3d |
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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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CaX 1/8 0 1/4 .9640 .86 .0012 .0016 .0016 0 0 .0004 |
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NaX 1/8 0 1/4 .0133 .86 .0012 .0016 .0016 0 0 .0004 |
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ZrX 1/8 0 1/4 .0093 .86 .0012 .0016 .0016 0 0 .0004 |
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VX 1/8 0 1/4 .0020 .86 .0012 .0016 .0016 0 0 .0004 |
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YX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004 |
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CeX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004 |
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NdX 1/8 0 1/4 .0003 .86 .0012 .0016 .0016 0 0 .0004 |
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AlY 0 0 0 .0980 .64 .0011 .0011 .0011 0 0 0 |
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FeY 0 0 0 .6955 .64 .0011 .0011 .0011 0 0 0 |
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MnY 0 0 0 .0120 .64 .0011 .0011 .0011 0 0 0 |
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MgY 0 0 0 .0645 .64 .0011 .0011 .0011 0 0 0 |
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SiZ 3/8 0 1/4 .8217 .77 .0012 .0013 .0013 0 0 0 |
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TiZ 3/8 0 1/4 .2753 .77 .0012 .0013 .0013 0 0 0 |
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O .0377 .0474 .6536 1.11 .0024 .0015 .0017 -.0003 .0004 -.0001 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Melanite |
| |
Quartieri S, Boscherini F, Chaboy J, Dalconi M C, Oberti R, Zanetti A |
| |
Physics and Chemistry of Minerals 29 (2002) 495-502 |
|
Characterization of trace Nd and Ce site preference and coordination in natural |
|
melanites: a combined X-ray diffraction and high-energy XAFS study |
|
Sample: 89/35 |
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_database_code_amcsd 0008660 |
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12.071 12.071 12.071 90 90 90 Ia-3d |
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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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CaX 1/8 0 1/4 .9910 .56 .0006 .0011 .0011 0 0 .0000 |
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NaX 1/8 0 1/4 .0060 .56 .0006 .0011 .0011 0 0 .0000 |
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ZrX 1/8 0 1/4 .0053 .56 .0006 .0011 .0011 0 0 .0000 |
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VX 1/8 0 1/4 .0080 .56 .0006 .0011 .0011 0 0 .0000 |
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AlY 0 0 0 .1300 .39 .0007 .0007 .0007 0 0 0 |
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FeY 0 0 0 .7190 .39 .0007 .0007 .0007 0 0 0 |
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MnY 0 0 0 .0155 .39 .0007 .0007 .0007 0 0 0 |
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MgY 0 0 0 .0445 .39 .0007 .0007 .0007 0 0 0 |
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SiZ 3/8 0 1/4 .8857 .42 .0007 .0007 .0007 0 0 0 |
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TiZ 3/8 0 1/4 .1647 .42 .0007 .0007 .0007 0 0 0 |
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O .0389 .0485 .6540 .77 .0016 .0014 .0010 -.0002 .0001 .0000 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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