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Magnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
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American Mineralogist 69 (1984) 754-770 |
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Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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MT100-1350 |
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_database_code_amcsd 0000945 |
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8.3958 8.3958 8.3958 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z Biso |
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FeA .125 .125 .125 0.37 |
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FeB .5 .5 .5 0.47 |
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O .2547 .2547 .2547 0.64 |
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Titanomagnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
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American Mineralogist 69 (1984) 754-770 |
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Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP25-1350 |
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_database_code_amcsd 0000946 |
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8.4237 8.4237 8.4237 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.46 |
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FeB .5 .5 .5 .875 0.51 |
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TiB .5 .5 .5 .125 0.51 |
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O .25519 .25519 .25519 0.62 |
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Titanomagnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
|
American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP25-1350, 800A |
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_database_code_amcsd 0000947 |
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8.4236 8.4236 8.4236 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.46 |
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FeB .5 .5 .5 .875 0.41 |
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TiB .5 .5 .5 .125 0.41 |
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O .25520 .25520 .25520 0.65 |
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View JMOL 3-D Structure
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Titanomagnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
|
American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP50-1350 |
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_database_code_amcsd 0000948 |
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8.4625 8.4625 8.4625 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.58 |
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FeB .5 .5 .5 .75 0.43 |
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TiB .5 .5 .5 .25 0.43 |
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O .25702 .25702 .25702 0.73 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanomagnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
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American Mineralogist 69 (1984) 754-770 |
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Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP50-1350 (77 K) |
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_database_code_amcsd 0000949 |
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8.440 8.440 8.440 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.43 |
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FeB .5 .5 .5 .75 0.13 |
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TiB .5 .5 .5 .25 0.13 |
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O .25654 .25654 .25654 0.57 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanomagnetite |
| |
Wechsler B A, Lindsley D H, Prewitt C T |
|
American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP50-1350, 800A |
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_database_code_amcsd 0000950 |
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8.4628 8.4628 8.4628 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.64 |
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FeB .5 .5 .5 .75 0.55 |
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TiB .5 .5 .5 .25 0.55 |
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O .25704 .25704 .25704 0.85 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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Titanomagnetite |
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Wechsler B A, Lindsley D H, Prewitt C T |
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American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP75-1350 |
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_database_code_amcsd 0000951 |
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8.5073 8.5073 8.5073 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.67 |
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FeB .5 .5 .5 .625 0.57 |
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TiB .5 .5 .5 .375 0.57 |
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O .25919 .25919 .25919 0.94 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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| |
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Titanomagnetite |
| |
Wechsler B A, Lindsley D H, Prewitt C T |
|
American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
|
USP75-1350, 800A |
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_database_code_amcsd 0000952 |
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8.507 8.507 8.507 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.75 |
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FeB .5 .5 .5 .625 0.60 |
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TiB .5 .5 .5 .375 0.60 |
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O .25912 .25912 .25912 1.06 |
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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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| |
|
Titanomagnetite |
| |
Wechsler B A, Lindsley D H, Prewitt C T |
|
American Mineralogist 69 (1984) 754-770 |
|
Crystal structure and cation distribution in titanomagnetites (Fe3-xTixO4) |
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USP100-1200 |
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_database_code_amcsd 0000953 |
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8.5348 8.5348 8.5348 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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FeA .125 .125 .125 0.84 |
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FeB .5 .5 .5 .5 0.64 |
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TiB .5 .5 .5 .5 0.64 |
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O .26038 .26038 .26038 1.34 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanite |
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Kunz M, Xirouchakis D, Lindsley D H, Hausermann D |
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American Mineralogist 81 (1996) 1527-1530 |
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High-pressure phase transition in titanite (CaTiOSiO4) |
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Sample: at 6.95 GPa |
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Note: this is a not titanite but instead is a high-pressure polymorph of Ca, |
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transfomred by pressure acting on titanite |
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_database_code_amcsd 0001850 |
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6.8912 8.6234 6.4065 90 113.057 90 A2/a |
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atom x y z Uiso |
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Ca .25 .1666 0 .019 |
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Ti .5 0 .5 .016 |
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Si .75 .188 0 .014 |
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O1 .75 .061 .5 .011 |
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O2 .922 .0712 .179 .011 |
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O3 .392 .216 .391 .011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Fluorapatite |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
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American Mineralogist 93 (2008) 210-216 |
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Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
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XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004514 |
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9.441 9.441 6.835 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Apatite-(CaF) |
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McCubbin F M, Mason H E, Park H, Phillips B L, Parise J B, Nekvasil H, Lindsley D H |
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American Mineralogist 93 (2008) 210-216 |
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Synthesis and characterization of low-OH- fluor-chlorapatite: a single-crystal |
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XRD and NMR spectroscopic study |
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Locality: synthetic |
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_database_code_amcsd 0004515 |
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9.441 9.441 6.835 90 90 120 P6_3/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 2/3 1/3 .00159 .00377 .0053 .0053 .0008 .00263 0 0 |
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Ca2 -.00483 .24902 .25 .00676 .0025 .0120 .0021 .0009 0 0 |
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Cl 0 0 .126 .2 .029 .0022 .0022 .081 .0011 0 0 |
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P .36958 .40062 .25 .00156 .0024 .0024 .0008 .0019 0 0 |
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F 0 0 .25 .5 .019 .007 .007 .042 .0035 0 0 |
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O1 .4860 .3313 .25 .0044 .0033 .0068 .0056 .0044 0 0 |
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O2 .4654 .5889 .25 .0076 .0069 .0026 .0132 .0023 0 0 |
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O3 .2593 .3455 .0695 .0112 .0095 .0229 .0074 .0128 -.0059 -.0093 |
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OH4 0 0 .41 .05 .26 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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