American Mineralogist Crystal Structure Database

25 matching records for this search.

Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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
Download hom/sodalite.pdf
Hassan I, Antao S M, Parise J B
Download am/vol89/AM89_359.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Peterson R C
Download cm/vol21/CM21_549.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
Antao S M, Hassan I, Wang J, Lee P L, Toby B H
Download cm/vol46/CM46_1501.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
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
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Sodalite
Download hom/sodalite.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
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: Neutron refinement at T = 295 K
_database_code_amcsd 0006396
9.0551 9.0551 9.0551 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 .037  .0020  .0540  .0540      0      0      0
Al     .25     0    .5 .026  .0170  .0310  .0310      0      0      0
O    .0068 .6578 .6384 .088  .1670  .0470  .0500 -.0210  .0200  .0110
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
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: Neutron refinement at T = 200 K
_database_code_amcsd 0006397
9.0374 9.0374 9.0374 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       1/4   1/2      0 .035   .003   .050   .050      0      0      0
Al      1/4     0    1/2 .034   .007   .048   .048      0      0      0
O    -.0011 .6574  .6360 .106   .223   .037   .058   0.00   0.01   0.01
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Sodalite
Download hom/sodalite.pdf
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: Neutron refinement at T = 20 K
_database_code_amcsd 0006398
8.9942 8.9942 8.9942 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      1/4   1/2     0 .033   .015   .042   .042      0      0      0
Al     1/4     0   1/2 .039   .046   .036   .036      0      0      0
O    .0349 .6615 .6402 .108   .233   .059   .032   .033  -.002  -.009
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Sodalite
Download hom/sodalite.pdf
Ballirano P, Maras A
 
European Journal of Mineralogy 17 (2005) 805-812
Crystal chemical and structural characterization of an
unusual CO3-bearing sodalite-group mineral
Locality: Mt. Vesuvio, Italy
_database_code_amcsd 0007133
9.0352 9.0352 9.0352 90 90 90 P-43n
atom      x      y      z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
NaM3   .736   .736   .736   .19  .045  .0446  .0446  .0446  .0350  .0350  .0350
KM3    .736   .736   .736  .046  .045  .0446  .0446  .0446  .0350  .0350  .0350
CaM3   .736   .736   .736  .004  .045  .0446  .0446  .0446  .0350  .0350  .0350
NaM2  .6871  .6871  .6871   .47  .029  .0293  .0293  .0293  .0104  .0104  .0104
CaM2  .6871  .6871  .6871   .15  .029  .0293  .0293  .0293  .0104  .0104  .0104
KM1    .659   .659   .659  .129  .022  .0224  .0224  .0224  .0029  .0029  .0029
Si      .25     .5      0       .0094  .0081  .0101  .0101      0      0      0
Al      .25      0     .5       .0096  .0087  .0100  .0100      0      0      0
O1   .14265 .15237 .45424       .0200  .0177  .0183  .0240  .0096  .0016  .0004
S     .4605  .4605  .4605  .096  .036
Cl        0      0      0   .47  .060
C         0      0      0   .15  .060
O2a    .638   .518   .461 .0588   .05
O2b    .373   .408   .470  .032   .05
O2c    .379   .346   .435  .032   .05
O2d    .600   .600   .600  .128   .05
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Sodalite
Download hom/sodalite.pdf
Hassan I, Grundy H
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=40&spage=6
Acta Crystallographica B40 (1984) 6-13
The crystal structures of sodalite-group minerals
_cod_database_code 1000028
_database_code_amcsd 0009790
8.875 8.875 8.875 90 90 90 P-43n
atom     x     y     z
Na   .1777 .1777 .1777
Al     .25     0    .5
Si     .25    .5     0
O    .1387 .1484 .4375
Cl       0     0     0
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Sodalite
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Pauling L
 
Zeitschrift fur Kristallographie 74 (1930) 213-225
The structure of sodalite and helvite
_cod_database_code 1011185
_database_code_amcsd 0018060
8.87 8.87 8.87 90 90 90 P-43n
atom    x    y    z
Cl1     0    0    0
Na1  .175 .175 .175
Si1   .25    0   .5
Al1   .25   .5    0
O1   .135  .44  .15
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Sodalite
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Barth T
 
Zeitschrift fur Kristallographie 83 (1932) 405-414
The structures of the minerals of the sodalite family
_cod_database_code 1011139
_database_code_amcsd 0018028
8.89 8.89 8.89 90 90 90 P-43m
atom    x    y     z occ
Na1  .175 .175  .175
Na2  .675 .675  .675
Al1   .25    0    .5  .5
Si1   .25    0    .5  .5
O1   .147 .147  .445
O2    .66  .66 -.056
Cl1     0    0     0
Cl2    .5   .5    .5
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