American Mineralogist Crystal Structure Database

11 matching records for this search.

Hollandite
Download hom/hollandite.pdf
Post J E, Von Dreele R B, Buseck P R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=1056
Acta Crystallographica B38 (1982) 1056-1065
Symmetry and cation displacements in hollandites:
structure refinements of hollandite, cryptomelane and priderite
Locality: Stuor Njuoskes, Sweden
Note: Anisotropic displacement factors from ICSD
_database_code_amcsd 0009759
10.026 2.8782 9.729 90 91.03 90 I2/m
atom       x    y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba         0    0      0 .34  .014  .0137   .020  .0144  .0000      0      0
Pb         0 .202      0 .04  .036   .031   .059   .029  .0006      0      0
Mn4+1 .85183    0 .33266 .75 .0049  .0063  .0026  .0074 -.0001      0      0
Mn3+1 .85183    0 .33266 .06 .0049  .0063  .0026  .0074 -.0001      0      0
Fe1   .85183    0 .33266 .16 .0049  .0063  .0026  .0074 -.0001      0      0
Al1   .85183    0 .33266 .03 .0049  .0063  .0026  .0074 -.0001      0      0
Mn4+2 .33670    0 .15345 .75 .0050  .0071  .0028  .0064  .0006      0      0
Mn3+2 .33670    0 .15345 .06 .0050  .0071  .0028  .0064  .0006      0      0
Fe2   .33670    0 .15345 .16 .0050  .0071  .0028  .0064  .0006      0      0
Al2   .33670    0 .15345 .03 .0050  .0071  .0028  .0064  .0006      0      0
O1     .6583    0  .3022     .0088  .0100  .0071  .0091  .0000      0      0
O2     .6552    0  .0414     .0084  .0128  .0056  .0080  .0006      0      0
O3     .2940    0  .3502     .0088  .0092  .0074  .0096 -.0003      0      0
O4     .0415    0  .3222     .0079  .0068  .0053  .0133  .0009      0      0
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Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 1
_database_code_amcsd 0009955
10.1541 10.1541 2.9735 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1         0       0    .5   .19   .039   .041   .041   .035       0      0      0
K2         0       0  .305  .294   .050  .0172  .0172   .116       0      0      0
Ti   .350895 .167624     0 .9029 .00768 .00798 .00865 .00642  .00100      0      0
Mg   .350895 .167624     0 .0970 .00768 .00798 .00865 .00642  .00100      0      0
O1    .15533  .20505     0       .00686 .00674 .00677 .00708 -.00009      0      0
O2    .54050  .16559     0       .00827 .00576 .01080 .00824  .00024      0      0
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Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 2
_database_code_amcsd 0009956
10.1541 10.1541 2.9735 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1         0       0    .5   .38   .044  .0284  .0284   .076       0      0      0
K2         0       0  .250  .197  .0340  .0152  .0152   .072       0      0      0
Ti   .350896 .167627     0 .9039 .00769 .00798 .00865 .00642  .00101      0      0
Mg   .350896 .167627     0 .0961 .00769 .00798 .00865 .00642  .00101      0      0
O1    .15535  .20504     0       .00686 .00671 .00677 .00709 -.00007      0      0
O2    .54049  .16558     0       .00826 .00578 .01074 .00827  .00021      0      0
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Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 3
_database_code_amcsd 0009957
10.1541 10.1541 2.9735 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1         0       0    .5  .297  .0445  .0328  .0328   .068       0      0      0
K2         0       0  .282  .234  .0415  .0154  .0154   .094       0      0      0
Ti   .350895 .167625     0 .9043 .00769 .00798 .00866 .00642  .00101      0      0
Mg   .350895 .167625     0 .0957 .00769 .00798 .00866 .00642  .00101      0      0
O1    .15533  .20504     0       .00687 .00674 .00679 .00707 -.00011      0      0
O2    .54050  .16557     0       .00823 .00573 .01079 .00818  .00026      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)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 4
_database_code_amcsd 0009958
10.1541 10.1541 2.9735 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1         0       0    .5  .310  .0363  .0292  .0292   .051       0      0      0
K2         0       0  .266  .230  .0371  .0164  .0164   .079       0      0      0
Ti   .350896 .167626     0 .9038 .00768 .00798 .00865 .00642  .00101      0      0
Mg   .350896 .167626     0 .0962 .00768 .00798 .00865 .00642  .00101      0      0
O1    .15535  .20504     0       .00686 .00671 .00676 .00709 -.00007      0      0
O2    .54050  .16558     0       .00827 .00577 .01073 .00829  .00021      0      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 5
_database_code_amcsd 0009959
10.2052 10.2052 2.9717 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Rb1        0       0    .5  .592   .074  .0164  .0164   .188       0      0      0
Rb2        0       0 .3020  .081  .0089  .0071  .0071   .012       0      0      0
Ti    .34990  .16657     0 .9057 .00742 .00775 .00868 .00584  .00091      0      0
Mg   .349898 .166572     0 .0943 .00742 .00775 .00868 .00584  .00091      0      0
O1    .15622  .20689     0       .00665  .0066  .0068  .0065  -.0001      0      0
O2    .53972  .16623     0       .00819  .0057  .0106  .0083   .0002      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)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 6
_database_code_amcsd 0009960
10.2052 10.2052 2.9717 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Rb1        0       0    .5  .588   .072  .0165  .0165   .182       0      0      0
Rb2        0       0  .299  .083  .0091  .0072  .0072   .013       0      0      0
Ti    .34990  .16657     0 .9057 .00742 .00774 .00868 .00584  .00091      0      0
Mg   .349899 .166573     0 .0943 .00742 .00774 .00868 .00584  .00091      0      0
O1    .15623  .20688     0       .00665  .0066  .0068  .0065  -.0001      0      0
O2    .53972  .16623     0       .00820  .0057  .0106  .0083   .0002      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)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 7
_database_code_amcsd 0009961
10.2052 10.2052 2.9717 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Rb1        0       0    .5  .251  .0229  .0184  .0184   .032       0      0      0
Rb2        0       0 .3266  .250  .0218  .0120  .0120  .0412       0      0      0
Ti1   .34990  .16657     0 .9062 .00739 .00773 .00865 .00581  .00090      0      0
Mg1  .349903 .166575     0 .0938 .00739 .00773 .00865 .00581  .00090      0      0
O1    .15623  .20686     0       .00663  .0066  .0068  .0065  -.0001      0      0
O2    .53975  .16621     0       .00818  .0056  .0106  .0083   .0002      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)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 8
_database_code_amcsd 0009962
10.2052 10.2052 2.9717 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Rb1        0       0    .5  .255  .0210  .0178  .0178   .028       0      0      0
Rb2        0       0 .3230  .248  .0208  .0123  .0123  .0380       0      0      0
Ti    .34990  .16657     0 .9061 .00740 .00773 .00866 .00581  .00090      0      0
Mg   .349902 .166575     0 .0939 .00740 .00773 .00866 .00581  .00090      0      0
O1    .15623  .20687     0       .00664  .0066  .0068  .0065  -.0001      0      0
O2    .53975  .16622     0       .00818  .0056  .0106  .0084   .0002      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)
 
Hollandite
Download hom/hollandite.pdf
Michiue Y
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=63&spage=577
Acta Crystallographica B63 (2007) 577-583
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16
(A = K, Rb)
Locality: synthetic
Sample: 9
_database_code_amcsd 0009963
10.2052 10.2052 2.9717 90 90 90 I4/m
atom       x       y     z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
Rb1        0       0    .5  .270  .0232   .013   .013   .044       0      0      0
Rb2        0       0  .326  .243   .031  .0160  .0160   .062       0      0      0
Ti    .34990  .16657     0 .9054 .00743 .00776 .00869 .00584  .00090      0      0
Mg   .349897 .166572     0 .0946 .00743 .00776 .00869 .00584  .00090      0      0
O1    .15622  .20689     0       .00669  .0067  .0069  .0065  -.0001      0      0
O2    .53972  .16622     0       .00821  .0057  .0107  .0083   .0002      0      0
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Hollandite
Download hom/hollandite.pdf
Miura H
Download mj/vol13/MJ13_119.pdf
Mineralogical Journal 13 (1986) 119-129
The crystal structure of hollandite
Locality: Gowari Wadhona, India
_database_code_amcsd 0014428
10.006 2.866 9.746 90 91.17 90 I2/m
atom      x  y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba        0 .5      0 .75 .00257  .0701 .00279      0 .00027      0
K         0 .5      0 .19 .00257  .0701 .00279      0 .00027      0
Mn1  .16405  0 .34692 .98 .00122  .0102 .00143      0 .00041      0
Fe1  .16405  0 .34692 .02 .00122  .0102 .00143      0 .00041      0
Mn2  .35185  0 .83170 .98 .00101  .0098 .00167      0 .00012      0
Fe2  .35185  0 .83170 .02 .00101  .0098 .00167      0 .00012      0
O1    .2056  0  .1495      .0015  .0164  .0035      0  .0002      0
O2    .1580  0  .8019      .0019  .0164  .0026      0  .0003      0
O3    .1548  0  .5431      .0028  .0148  .0023      0  .0003      0
O4    .5418  0  .8231      .0015  .0158  .0036      0  .0003      0
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 11
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