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Clinoferrosilite |
 |
Hugh-Jones D A, Woodland A B, Angel R J |
 |
American Mineralogist 79 (1994) 1032-1041 |
|
The structure of high-pressure C2/c ferrosilite and crystal chemistry of |
|
high-pressure C2/c pyroxenes |
|
P = room pressure |
|
_database_code_amcsd 0001679 |
|
9.7075 9.0807 5.2347 90 108.46 90 P2_1/c |
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atom x y z Biso |
|
Fe1 .2512 .6538 .2262 .92 |
|
Fe2 .2256 .0145 .2239 1.13 |
|
SiA .0454 .3384 .2915 .64 |
|
SiB .5531 .8334 .2431 .77 |
|
O1A .871 .338 .178 .62 |
|
O1B .379 .837 .137 .59 |
|
O2A .125 .496 .335 .70 |
|
O2B .633 .981 .387 1.17 |
|
O3A .106 .266 .597 1.45 |
|
O3B .608 .702 .470 1.60 |
|
|
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|
| |
|
Clinoferrosilite |
|
Hugh-Jones D A, Woodland A B, Angel R J |
|
American Mineralogist 79 (1994) 1032-1041 |
|
The structure of high-pressure C2/c ferrosilite and crystal chemistry of |
|
high-pressure C2/c pyroxenes |
|
P = 1.87 GPa |
|
_database_code_amcsd 0001680 |
|
9.540 8.996 5.008 90 103.01 90 C2/c |
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atom x y z Biso |
|
Fe1 0 .9054 .25 .38 |
|
Fe2 0 .2721 .25 .28 |
|
Si .2988 .0882 .2225 .05 |
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O1 .126 .095 .154 .30 |
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O2 .377 .233 .373 .30 |
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O3 .352 .053 .934 .30 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Clinoferrosilite |
|
Hugh-Jones D A, Woodland A B, Angel R J |
|
American Mineralogist 79 (1994) 1032-1041 |
|
The structure of high-pressure C2/c ferrosilite and crystal chemistry of |
|
high-pressure C2/c pyroxenes |
|
Sample: fictive hedenbergite-like C2/c FeSiO3 phase |
|
_database_code_amcsd 0001681 |
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9.73 9.11 5.23 90 107.8 90 C2/c |
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atom x y z |
|
Fe1 0 .901 .25 |
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Fe2 0 .263 .25 |
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Si .296 .085 .252 |
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O1 .124 .090 .159 |
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O2 .375 .240 .362 |
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O3 .359 .031 .045 |
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|
| |
|
Wadsleyite |
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Woodland A B, Angel R J |
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American Mineralogist 83 (1998) 404-408 |
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Crystal structure of a new spinelloid with the wadsleyite structure in the |
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system Fe2SiO4-Fe3O4 and implications for the Earth's mantle |
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Fe2.45Si.55O4 |
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_database_code_amcsd 0001980 |
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5.8559 11.8936 8.3684 90 90 90 Imma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .0067 .00174 .0033 0 0 .00000 |
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Fe2 0 .25 .96966 .0062 .00170 .0028 0 0 0 |
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Fe3 .25 .12496 .25 .0082 .00194 .00300 0 -.00003 0 |
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Si 0 .11991 .6180 .55 .0051 .00144 .00249 0 0 .00000 |
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Fe 0 .11991 .6180 .45 .0051 .00144 .00249 0 0 0 |
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O1 0 .25 .2255 .0057 .0022 .0031 0 0 0 |
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O2 0 .25 .7234 .0065 .0047 .0033 0 0 0 |
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O3 0 -.0041 .2544 .0042 .0038 .0042 0 0 -.0017 |
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O4 .2556 .1222 .0014 .0092 .0038 .0039 .00012 -.0018 -.00005 |
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| |
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Titanite |
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Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
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American Mineralogist 84 (1999) 282-287 |
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Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
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titanites |
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P = 1 atm |
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_database_code_amcsd 0002101 |
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6.5430 8.3918 6.3416 90 113.175 90 *A2/a |
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0 .25 .25 |
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atom x y z |
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Ca .25 .42059 .25 |
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SiVI .5 .25 .75 |
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SiIV .75 .43657 .25 |
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O1 .75 .3090 .75 |
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O2 .9142 .3178 .4477 |
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O3 .3958 .4500 .6531 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
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P = 1.0 GPa |
|
_database_code_amcsd 0002102 |
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6.5297 8.3823 6.3227 90 113.087 90 *A2/a |
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0 .25 .25 |
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atom x y z |
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Ca .25 .4202 .25 |
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SiVI .5 .25 .75 |
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SiIV .75 .4361 .25 |
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O1 .75 .3098 .75 |
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O2 .9201 .3184 .4481 |
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O3 .3985 .4497 .6547 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 2.6 GPa |
|
_database_code_amcsd 0002103 |
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6.5096 8.3636 6.2954 90 112.960 90 *A2/a |
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0 .25 .25 |
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atom x y z |
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Ca .25 .4197 .25 |
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SiVI .5 .25 .75 |
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SiIV .75 .4378 .25 |
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O1 .75 .3108 .75 |
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O2 .915 .3178 .4461 |
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O3 .408 .4510 .655 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 4.4 GPa |
|
_database_code_amcsd 0002104 |
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6.4850 8.3431 6.2653 90 112.784 90 *A2/a |
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0 .25 .25 |
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atom x y z |
|
Ca .25 .4194 .25 |
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SiVI .5 .25 .75 |
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SiIV .75 .4378 .25 |
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O1 .75 .3115 .75 |
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O2 .928 .3191 .4475 |
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O3 .396 .4507 .6514 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Titanite |
|
Angel R J, Kunz M, Miletich R, Woodland A B, Koch M, Knoche R L |
|
American Mineralogist 84 (1999) 282-287 |
|
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 |
|
titanites |
|
P = 5.8 GPa |
|
_database_code_amcsd 0002105 |
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6.4699 8.3294 6.2444 90 112.688 90 *A2/a |
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0 .25 .25 |
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atom x y z |
|
Ca .25 .4191 .25 |
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SiVI .5 .25 .75 |
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SiIV .75 .4369 .25 |
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O1 .75 .3098 .75 |
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O2 .916 .3194 .4446 |
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O3 .393 .4497 .6487 |
|
|
| Download AMC data (View Text File)
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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 |
| |
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 |
|
atom x y z Biso |
|
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 |
|
|
| Download AMC data (View Text File)
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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 |
| |
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
| |
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: 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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
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 |
| |
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 |
|
SiZ .375 0 .25 .38 |
|
O .03950 .04910 .65636 .48 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Andradite |
|
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
|
Woodland A B |
| |
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 |
|
Locality: synthetic |
|
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 |
|
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 |
|
SiZ .375 0 .25 .41 |
|
O .03965 .04935 .65696 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca3Sc1.36Fe.64Si3O12 |
| |
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
| |
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 |
|
Locality: synthetic |
|
Sample: adr30CaSc70 |
|
_database_code_amcsd 0004187 |
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12.1917 12.1917 12.1917 90 90 90 Ia-3d |
|
atom x y z occ Biso |
|
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 |
|
SiZ .375 0 .25 .40 |
|
O .03980 .04966 .65758 .51 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ca3Sc1.74Fe.26Si3O12 |
| |
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
| |
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 |
|
Locality: synthetic |
|
Sample: adr10CaSc90 |
|
_database_code_amcsd 0004188 |
|
12.2273 12.2273 12.2273 90 90 90 Ia-3d |
|
atom x y z occ Biso |
|
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 |
|
SiZ .375 0 .25 .38 |
|
O .04004 .05005 .65812 .42 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Eringaite |
| |
Quartieri S, Oberti R, Boiocchi M, Dalconi M C, Boscherini F , Safonova O, |
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Woodland A B |
| |
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 |
|
Locality: synthetic |
|
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 |
|
CaX .125 0 .25 .38 |
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ScY 0 0 0 .38 |
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SiZ .375 0 .25 .38 |
|
O .04004 .05010 .65887 .38 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Spinelloid |
| |
Angel R J, Woodland A B |
| |
European Journal of Mineralogy 10 (1998) 607-611 |
|
Crystal structure of spinelloid II in the system Fe3O4-Fe2SiO4 |
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_database_code_amcsd 0006752 |
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5.85928 17.9801 8.38395 90 90 90 Imma |
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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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FeM1 1/4 1/4 3/4 .97 .0080 .00072 .00324 0 .0003 0 |
|
FeM2 1/4 .08428 3/4 1.02 .0086 .00073 .00328 0 .00007 0 |
|
FeM3 0 .16675 .02950 .89 .0063 .00074 .00299 0 0 -.00001 |
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FeM4 0 0 0 .94 .0063 .00072 .00358 0 0 -.00001 |
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SiT1 0 .42088 .38048 .43 .82 .0055 .00066 .00300 0 0 .00005 |
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FeT1 0 .42088 .38048 .57 .82 .0055 .00066 .00300 0 0 .00005 |
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SiT2 0 1/4 .38763 .43 .74 .0051 .00059 .0028 0 0 0 |
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FeT2 0 1/4 .38763 .57 .74 .0051 .00059 .0028 0 0 0 |
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O1 0 .83210 .22750 1.01 .0072 .00088 .0032 0 0 -.00003 |
|
O2 0 -.00035 .24943 1.35 .0077 .00135 .0045 0 0 .00061 |
|
O3 0 .17090 .27754 1.50 .0077 .00213 .0024 0 0 .00011 |
|
O4 .2602 1/4 -.00132 1.08 .0098 .00075 .0033 0 -.0001 0 |
|
O5 .2480 .08100 -.00328 1.15 .0107 .00067 .0040 -.00014 .0013 -.00014 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe7SiO10 |
| |
Van Aken P A, Miehe G, Woodland A B, Angel R J |
| |
European Journal of Mineralogy 17 (2005) 723-731 |
|
Crystal structure and cation distribution in Fe7SiO10 ("Iscorite") |
|
_database_code_amcsd 0007130 |
|
21.336 3.0679 5.8744 90 98.06 90 I2/m |
|
atom x y z occ |
|
Fe2+M1 .3054 0 .3932 |
|
Fe2+M2 .3031 0 .9100 |
|
Fe2+M3 .0873 0 .7901 .5 |
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Fe3+M3 .0873 0 .7901 .5 |
|
Fe3+T .4457 0 .2246 .5 |
|
SiT .4457 0 .2246 .5 |
|
O1 .2023 0 .8484 |
|
O2 .2086 0 .3588 |
|
O3 .3985 0 .4553 |
|
O4 .4019 0 .9432 |
|
O5 .0141 0 .2474 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Almandine |
|
Woodland A B, Ross C R |
| |
Physics and Chemistry of Minerals 21 (1994) 117-132 |
|
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
|
(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
|
Sample: alm85 |
|
_database_code_amcsd 0007859 |
|
11.5546 11.5546 11.5546 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeX .125 0 .25 .0035 .0084 .0084 0 0 .0005 |
|
AlY 0 0 0 .85 .0039 .0039 .0039 .0009 .0009 .0009 |
|
FeY 0 0 0 .15 .0039 .0039 .0039 .0009 .0009 .0009 |
|
SiZ .375 0 .25 .0022 .0034 .0034 0 0 0 |
|
O .0344 .0500 .6536 .0063 .0081 .0034 .0007 -.0005 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Andradite |
|
Woodland A B, Ross C R |
| |
Physics and Chemistry of Minerals 21 (1994) 117-132 |
|
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
|
(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
|
Sample: alm10 |
|
_database_code_amcsd 0007860 |
|
11.7076 11.7076 11.7076 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeX .125 0 .25 .0053 .0112 .0112 0 0 .0013 |
|
AlY 0 0 0 .1 .0050 .0050 .0050 .0001 .0001 .0001 |
|
FeY 0 0 0 .9 .0050 .0050 .0050 .0001 .0001 .0001 |
|
SiZ .375 0 .25 .0045 .0054 .0054 0 0 0 |
|
O .0352 .0529 .6568 .0074 .0094 .0069 .0015 -.0012 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Almandine |
|
Woodland A B, Ross C R |
| |
Physics and Chemistry of Minerals 21 (1994) 117-132 |
|
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
|
(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
|
Sample: and11 |
|
_database_code_amcsd 0007861 |
|
11.7663 11.7663 11.7663 90 90 90 Ia-3d |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeX .125 0 .25 .89 .0053 .0114 .0114 0 0 .0014 |
|
CaX .125 0 .25 .11 .0053 .0114 .0114 0 0 .0014 |
|
FeY 0 0 0 .0050 .0050 .0050 0 0 0 |
|
SiZ .375 0 .25 .0051 .0051 .0051 0 0 0 |
|
O .0357 .0525 .6571 .0091 .0094 .0063 .0018 -.0020 -.0009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Almandine |
|
Woodland A B, Ross C R |
| |
Physics and Chemistry of Minerals 21 (1994) 117-132 |
|
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
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(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
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Sample: and21 |
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_database_code_amcsd 0007862 |
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11.8002 11.8002 11.8002 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeX .125 0 .25 .79 .0054 .0120 .0120 0 0 .0011 |
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CaX .125 0 .25 .21 .0054 .0120 .0120 0 0 .0011 |
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FeY 0 0 0 .0054 .0054 .0054 .0001 .0001 .0001 |
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SiZ .375 0 .25 .0062 .0053 .0053 0 0 0 |
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O .0362 .0520 .6571 .0098 .0095 .0060 .0011 -.0012 -.0008 |
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Almandine |
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Woodland A B, Ross C R |
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Physics and Chemistry of Minerals 21 (1994) 117-132 |
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A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
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(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
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Sample: and36, |
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_database_code_amcsd 0007863 |
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11.8568 11.8568 11.8568 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeX .125 0 .25 .36 .0052 .0118 .0118 0 0 .0021 |
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CaX .125 0 .25 .64 .0052 .0118 .0118 0 0 .0021 |
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FeY 0 0 0 .0053 .0053 .0053 -.0001 -.0001 -.0001 |
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SiZ .375 0 .25 .0074 .0046 .0046 0 0 0 |
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O .0364 .0508 .6568 .0107 .0086 .0067 .0018 -.0013 -.0004 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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Andradite |
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Woodland A B, Ross C R |
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Physics and Chemistry of Minerals 21 (1994) 117-132 |
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A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
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(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
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Sample: and52 |
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_database_code_amcsd 0007864 |
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11.9150 11.9150 11.9150 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeX .125 0 .25 .48 .0059 .0125 .0125 0 0 .0021 |
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CaX .125 0 .25 .52 .0059 .0125 .0125 0 0 .0021 |
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FeY 0 0 0 .0062 .0062 .0062 -.0002 -.0002 -.0002 |
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SiZ .375 0 .25 .0083 .0055 .0055 0 0 0 |
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O .0370 .0504 .6564 .0134 .0092 .0071 .0019 -.0016 -.0002 |
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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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Andradite |
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Woodland A B, Ross C R |
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Physics and Chemistry of Minerals 21 (1994) 117-132 |
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A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, |
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(Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions |
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Sample: and64 |
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_database_code_amcsd 0007865 |
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11.9503 11.9503 11.9503 90 90 90 Ia-3d |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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FeX .125 0 .25 .64 .0058 .0122 .0122 0 0 .0028 |
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CaX .125 0 .25 .36 .0058 .0122 .0122 0 0 .0028 |
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FeY 0 0 0 .0059 .0059 .0059 -.0003 -.0003 -.0003 |
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SiZ .375 0 .25 .0080 .0047 .0047 0 0 0 |
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O .0378 .0498 .6561 .0118 .0078 .0061 .0016 -.0017 -.0001 |
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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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Pigeonite |
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Angel R J, McCammon C A, Woodland A B |
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Physics and Chemistry of Minerals 25 (1998) 249-258 |
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Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes |
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Sample: H162 |
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Note: x coordinate of O2B changed by author, May, 2004 |
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_database_code_amcsd 0008137 |
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9.6519 8.9075 5.2004 90 108.590 90 P2_1/c |
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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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MgM1 .2512 .6539 .2201 .779 1.01 .0026 .0026 .0125 -.0010 .0010 -.0010 |
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FeM1 .2512 .6539 .2201 .221 1.01 .0026 .0026 .0125 -.0010 .0010 -.0010 |
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MgM2 .2570 .0153 .2202 .441 1.28 .0037 .0045 .0115 -.0006 .0014 -.0015 |
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FeM2 .2570 .0153 .2202 .559 1.28 .0037 .0045 .0115 -.0006 .0014 -.0015 |
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SiA .0431 .3401 .2899 .79 .0022 .0028 .0081 .0001 .0016 -.0002 |
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SiB .5531 .8359 .2354 .73 .0018 .0025 .0082 -.0002 .0013 -.0008 |
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O1A .8691 .3376 .1821 .97 .0040 .0038 .0048 -.0011 .0025 -.0010 |
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O1B .3750 .8388 .1287 .72 .0017 .0024 .0063 .0003 -.0007 -.0018 |
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O2A .1239 .4993 .3283 .81 .0024 .0022 .0083 -.0001 .0005 .0015 |
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O2B .6344 .9819 .3869 1.21 .0030 .0032 .0155 -.0006 .0015 .0032 |
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O3A .1047 .2729 .6053 1.11 .0032 .0039 .0083 .0000 -.0004 .0004 |
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O3B .6048 .7006 .4625 .99 .0025 .0030 .0133 .0008 .0026 .0003 |
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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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