|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 28 C |
|
_database_code_amcsd 0003407 |
|
8.88696 8.88696 8.88696 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1779 .1779 .1779 .0177 |
|
Al .25 0 1/2 .0051 |
|
Si .25 1/2 0 .0051 |
|
O .13974 .15013 .43895 .0024 |
|
Cl 0 0 0 .0240 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 43 C |
|
_database_code_amcsd 0003408 |
|
8.88689 8.88689 8.88689 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1781 .1781 .1781 .0166 |
|
Al .25 0 1/2 .00491 |
|
Si .25 1/2 0 .00491 |
|
O .13946 .14984 .43876 .0018 |
|
Cl 0 0 0 .0238 |
|
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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 (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 58 C |
|
_database_code_amcsd 0003409 |
|
8.88850 8.88850 8.88850 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1781 .1781 .1781 .0182 |
|
Al .25 0 1/2 .00498 |
|
Si .25 1/2 0 .00498 |
|
O .13979 .15017 .43908 .0026 |
|
Cl 0 0 0 .0255 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 104 C |
|
_database_code_amcsd 0003410 |
|
8.89540 8.89540 8.89540 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1782 .1782 .1782 .0228 |
|
Al .25 0 1/2 .00604 |
|
Si .25 1/2 0 .00604 |
|
O .14038 .15074 .43992 .0044 |
|
Cl 0 0 0 .0311 |
|
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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 (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 164 C |
|
_database_code_amcsd 0003411 |
|
8.90171 8.90171 8.90171 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1785 .1785 .1785 .0261 |
|
Al .25 0 1/2 .0066 |
|
Si .25 1/2 0 .0066 |
|
O .14064 .15099 .44052 .0057 |
|
Cl 0 0 0 .0363 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 270 C |
|
_database_code_amcsd 0003412 |
|
8.91423 8.91423 8.91423 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1788 .1788 .1788 .0347 |
|
Al .25 0 1/2 .0090 |
|
Si .25 1/2 0 .0090 |
|
O .14122 .15155 .44178 .0092 |
|
Cl 0 0 0 .0465 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 376 C |
|
_database_code_amcsd 0003413 |
|
8.92782 8.92782 8.92782 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1798 .1798 .1798 .0387 |
|
Al .25 0 1/2 .0083 |
|
Si .25 1/2 0 .0083 |
|
O .14165 .15194 .44303 .0104 |
|
Cl 0 0 0 .0571 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 482 C |
|
_database_code_amcsd 0003414 |
|
8.94177 8.94177 8.94177 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1800 .1800 .1800 .0497 |
|
Al .25 0 1/2 .0116 |
|
Si .25 1/2 0 .0116 |
|
O .14229 .15255 .44450 .0149 |
|
Cl 0 0 0 .0700 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 588 C |
|
_database_code_amcsd 0003415 |
|
8.95963 8.95963 8.95963 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1816 .1816 .1816 .0541 |
|
Al .25 0 1/2 .0106 |
|
Si .25 1/2 0 .0106 |
|
O .14272 .15294 .44612 .0171 |
|
Cl 0 0 0 .0865 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 694 C |
|
_database_code_amcsd 0003416 |
|
8.97427 8.97427 8.97427 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1822 .1822 .1822 .0631 |
|
Al .25 0 1/2 .0122 |
|
Si .25 1/2 0 .0122 |
|
O .14333 .15351 .44772 .0207 |
|
Cl 0 0 0 .1016 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 800 C |
|
_database_code_amcsd 0003417 |
|
8.99003 8.99003 8.99003 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1835 .1835 .1835 .0692 |
|
Al .25 0 1/2 .0130 |
|
Si .25 1/2 0 .0130 |
|
O .14369 .15384 .44922 .0238 |
|
Cl 0 0 0 .1200 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 906 C |
|
_database_code_amcsd 0003418 |
|
9.01287 9.01287 9.01287 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1854 .1854 .1854 .0813 |
|
Al .25 0 1/2 .0150 |
|
Si .25 1/2 0 .0150 |
|
O .14428 .15438 .45155 .0296 |
|
Cl 0 0 0 .1498 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 967 C |
|
_database_code_amcsd 0003419 |
|
9.02374 9.02374 9.02374 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1864 .1864 .1864 .0866 |
|
Al .25 0 1/2 .0155 |
|
Si .25 1/2 0 .0155 |
|
O .14471 .15479 .45286 .0324 |
|
Cl 0 0 0 .1667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Hassan I, Antao S M, Parise J B |
 |
American Mineralogist 89 (2004) 359-364 |
|
Sodalite: High-temperature structures obtained from synchrotron radiation |
|
and Rietveld refinements |
|
Sample: T = 982 C |
|
_database_code_amcsd 0003420 |
|
9.02748 9.02748 9.02748 90 90 90 P-43n |
|
atom x y z Uiso |
|
Na .1868 .1868 .1868 .0892 |
|
Al .25 0 1/2 .0164 |
|
Si .25 1/2 0 .0164 |
|
O .14460 .15467 .45305 .0334 |
|
Cl 0 0 0 .1717 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Peterson R C |
 |
The Canadian Mineralogist 21 (1983) 549-552 |
|
The structure of hackmanite, a variety of sodalite, from Mont |
|
St-Hilaire, Quebec |
|
Locality: Mont St-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005193 |
|
8.877 8.877 8.877 90 90 90 P-43n |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Na .1778 .1778 .1778 .94 .0045 .0045 .0045 .0002 .0002 .0002 |
|
Fe .1778 .1778 .1778 .01 .0045 .0045 .0045 .0002 .0002 .0002 |
|
Al .25 .5 0 .0016 .0016 .0016 0 0 0 |
|
Si .25 0 .5 .0013 .0016 .0016 0 0 0 |
|
O .1390 .4382 .1498 .0025 .0029 .0031 .0003 .0013 -.0002 |
|
Cl 0 0 0 1.89 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Antao S M, Hassan I, Wang J, Lee P L, Toby B H |
 |
The Canadian Mineralogist 46 (2008) 1501-1509 |
|
State-of-the-art high-resolution powder x-ray diffraction (HRPXRD) illustrated |
|
with Rietveld structure refinement of quartz, sodalite, tremolite, and meionite |
|
Locality: Bancroft, Ontario |
|
_database_code_amcsd 0006211 |
|
8.880679 8.880679 8.880679 90 90 90 P-43n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .17772 .17772 .17772 .0181 .01807 .01807 .01807 .00135 .00135 .00135 |
|
Al .25 0 .5 .0049 .0050 .0049 .0049 0 0 0 |
|
Si .25 .5 0 .0048 .0035 .0054 .0054 0 0 0 |
|
O .13780 .14915 .43910 .0106 .0172 .0063 .0082 .0012 -.0034 .0051 |
|
Cl 0 0 0 .0247 .02466 .02466 .02466 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Han S, Smith J V, Pluth J J, Richardson J W |
|
European Journal of Mineralogy 2 (1990) 787-798 |
|
Crystal structure of MAPO-20 sodalite: theoretical analysis |
|
of three-color ordering of Mg, Al and P in a sodalite unit |
|
Sample: X-ray refinement Pm3n |
|
_database_code_amcsd 0006394 |
|
9.0437 9.0437 9.0437 90 90 90 Pm3n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P .25 .5 0 .0310 .0126 .0402 .0402 0 0 0 |
|
Al .25 0 .5 .0252 .0193 .0282 .0282 0 0 0 |
|
O 0 .6562 .6353 .0904 .1650 .0516 .0550 0 0 .0152 |
|
N 0 0 0 .032 |
|
C1 .03876 .11358 .11127 .038 |
|
H1 -.04132 .18970 .11568 .038 |
|
H2 .13407 .16194 .08290 .038 |
|
H3 .04973 .06583 .21039 .038 |
|
C2 -.14105 -.07158 .04198 .038 |
|
H4 -.22113 .00454 .04639 .038 |
|
H5 -.13008 -.11933 .14110 .038 |
|
H6 -.16724 -.14832 -.03323 .038 |
|
C3 .11851 -.11265 -.00652 .038 |
|
H7 .12948 -.16040 .09260 .038 |
|
H8 .21382 -.06428 -.03489 .038 |
|
H9 .09232 -.18939 -.08170 .038 |
|
C4 -.01623 .07066 -.14671 .038 |
|
H10 -.09631 .14678 -.14230 .038 |
|
H11 -.04242 -.00608 -.22188 .038 |
|
H12 .07907 .11902 -.17507 .038 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Han S, Smith J V, Pluth J J, Richardson J W |
|
European Journal of Mineralogy 2 (1990) 787-798 |
|
Crystal structure of MAPO-20 sodalite: theoretical analysis |
|
of three-color ordering of Mg, Al and P in a sodalite unit |
|
Sample: X-ray refinement |
|
_database_code_amcsd 0006395 |
|
9.0437 9.0437 9.0437 90 90 90 P-43n |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
P .25 .5 0 .0309 .0125 .0402 .0402 0 0 0 |
|
Al .25 0 .5 .0251 .0190 .0282 .0282 0 0 0 |
|
O -.0033 .6562 .6354 .0905 .1660 .0530 .0550 .0240 .0110 .0160 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
|
|
|
Sodalite |
 |
Han S, Smith J V, Pluth J J, Richardson J W |
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European Journal of Mineralogy 2 (1990) 787-798 |
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Crystal structure of MAPO-20 sodalite: theoretical analysis |
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of three-color ordering of Mg, Al and P in a sodalite unit |
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Sample: Neutron refinement at T = 295 K |
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_database_code_amcsd 0006396 |
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9.0551 9.0551 9.0551 90 90 90 P-43n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .25 .5 0 .037 .0020 .0540 .0540 0 0 0 |
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Al .25 0 .5 .026 .0170 .0310 .0310 0 0 0 |
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O .0068 .6578 .6384 .088 .1670 .0470 .0500 -.0210 .0200 .0110 |
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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 (permalink)
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Sodalite |
 |
Han S, Smith J V, Pluth J J, Richardson J W |
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European Journal of Mineralogy 2 (1990) 787-798 |
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Crystal structure of MAPO-20 sodalite: theoretical analysis |
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of three-color ordering of Mg, Al and P in a sodalite unit |
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Sample: Neutron refinement at T = 200 K |
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_database_code_amcsd 0006397 |
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9.0374 9.0374 9.0374 90 90 90 P-43n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P 1/4 1/2 0 .035 .003 .050 .050 0 0 0 |
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Al 1/4 0 1/2 .034 .007 .048 .048 0 0 0 |
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O -.0011 .6574 .6360 .106 .223 .037 .058 0.00 0.01 0.01 |
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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 (permalink)
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Sodalite |
 |
Han S, Smith J V, Pluth J J, Richardson J W |
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European Journal of Mineralogy 2 (1990) 787-798 |
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Crystal structure of MAPO-20 sodalite: theoretical analysis |
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of three-color ordering of Mg, Al and P in a sodalite unit |
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Sample: Neutron refinement at T = 20 K |
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_database_code_amcsd 0006398 |
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8.9942 8.9942 8.9942 90 90 90 P-43n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P 1/4 1/2 0 .033 .015 .042 .042 0 0 0 |
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Al 1/4 0 1/2 .039 .046 .036 .036 0 0 0 |
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O .0349 .6615 .6402 .108 .233 .059 .032 .033 -.002 -.009 |
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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 (permalink)
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Sodalite |
 |
Ballirano P, Maras A |
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European Journal of Mineralogy 17 (2005) 805-812 |
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Crystal chemical and structural characterization of an |
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unusual CO3-bearing sodalite-group mineral |
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Locality: Mt. Vesuvio, Italy |
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_database_code_amcsd 0007133 |
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9.0352 9.0352 9.0352 90 90 90 P-43n |
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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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NaM3 .736 .736 .736 .19 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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KM3 .736 .736 .736 .046 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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CaM3 .736 .736 .736 .004 .045 .0446 .0446 .0446 .0350 .0350 .0350 |
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NaM2 .6871 .6871 .6871 .47 .029 .0293 .0293 .0293 .0104 .0104 .0104 |
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CaM2 .6871 .6871 .6871 .15 .029 .0293 .0293 .0293 .0104 .0104 .0104 |
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KM1 .659 .659 .659 .129 .022 .0224 .0224 .0224 .0029 .0029 .0029 |
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Si .25 .5 0 .0094 .0081 .0101 .0101 0 0 0 |
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Al .25 0 .5 .0096 .0087 .0100 .0100 0 0 0 |
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O1 .14265 .15237 .45424 .0200 .0177 .0183 .0240 .0096 .0016 .0004 |
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S .4605 .4605 .4605 .096 .036 |
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Cl 0 0 0 .47 .060 |
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C 0 0 0 .15 .060 |
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O2a .638 .518 .461 .0588 .05 |
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O2b .373 .408 .470 .032 .05 |
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O2c .379 .346 .435 .032 .05 |
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O2d .600 .600 .600 .128 .05 |
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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 (permalink)
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Sodalite |
 |
Hassan I, Grundy H |
 |
Acta Crystallographica B40 (1984) 6-13 |
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The crystal structures of sodalite-group minerals |
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_cod_database_code 1000028 |
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_database_code_amcsd 0009790 |
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8.875 8.875 8.875 90 90 90 P-43n |
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atom x y z |
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Na .1777 .1777 .1777 |
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Al .25 0 .5 |
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Si .25 .5 0 |
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O .1387 .1484 .4375 |
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Cl 0 0 0 |
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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 (permalink)
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Sodalite |
 |
Pauling L |
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Zeitschrift fur Kristallographie 74 (1930) 213-225 |
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The structure of sodalite and helvite |
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_cod_database_code 1011185 |
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_database_code_amcsd 0018060 |
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8.87 8.87 8.87 90 90 90 P-43n |
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atom x y z |
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Cl1 0 0 0 |
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Na1 .175 .175 .175 |
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Si1 .25 0 .5 |
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Al1 .25 .5 0 |
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O1 .135 .44 .15 |
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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 (permalink)
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Sodalite |
 |
Barth T |
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Zeitschrift fur Kristallographie 83 (1932) 405-414 |
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The structures of the minerals of the sodalite family |
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_cod_database_code 1011139 |
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_database_code_amcsd 0018028 |
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8.89 8.89 8.89 90 90 90 P-43m |
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atom x y z occ |
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Na1 .175 .175 .175 |
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Na2 .675 .675 .675 |
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Al1 .25 0 .5 .5 |
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Si1 .25 0 .5 .5 |
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O1 .147 .147 .445 |
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O2 .66 .66 -.056 |
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Cl1 0 0 0 |
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Cl2 .5 .5 .5 |
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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 (permalink)
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