American Mineralogist Crystal Structure Database

23 matching records for this search.

Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: A44
_database_code_amcsd 0002392
5.3899 9.3367 10.3086 90 100.16 90 C2/m
atom     x     y     z  occ Biso
SiT  .5746 .1664 .2254  .75 1.07
AlT  .5746 .1664 .2254  .25 1.07
Fe1      0    .5    .5        .9
Fe2      0 .8333    .5      1.60
K        0     0     0 .956  3.8
O1   .8138 .2410 .1777       3.2
O2   .5457     0 .1676       2.4
O3   .6373 .1675 .3939       1.5
O4   .1367     0 .3860       1.9
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd12no.10
_database_code_amcsd 0002393
5.3944 9.3454 10.3284 90 100.22 90 C2/m
atom     x     y     z occ  Biso
SiT  .5714 .1668 .2258 .718   .6
AlT  .5714 .1668 .2258 .282   .6
Al1      0    .5    .5 .952   .7
Fe1      0    .5    .5 .048   .7
Al2      0 .8333    .5 .036  .97
Fe2      0 .8333    .5 .958  .97
K        0     0     0  .99  4.0
O1   .8085 .2466 .1744       2.5
O2   .5417     0 .1722        .9
O3   .6365 .1665 .3940        .9
O4   .1323     0 .3877       1.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd37no.10
_database_code_amcsd 0002394
5.3812 9.3234 10.2934 90 100.22 90 C2/m
atom     x     y     z occ Biso
SiT  .5724 .1667 .2260 .665 .77
AlT  .5724 .1667 .2260 .335 .77
Al1      0    .5    .5 .100  .7
Fe1      0    .5    .5 .900  .7
Al2      0 .8323    .5 .114 .97
Fe2      0 .8323    .5 .890 .97
K        0     0     0 .964 2.8
O1   .8201 .2308 .1758      2.3
O2   .5277     0 .1700      1.2
O3   .6368 .1678 .3933      1.2
O4   .1329     0 .3909      1.1
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd50no.10
_database_code_amcsd 0002395
5.3732 9.3097 10.2807 90 100.24 90 C2/m
atom     x     y     z  occ Biso
SiT  .5720 .1670 .2261 .648  .69
AlT  .5720 .1670 .2261 .352  .69
Al1      0    .5    .5 .136   .5
Fe1      0    .5    .5 .864   .5
Al2      0 .8318    .5 .184 1.08
Fe2      0 .8318    .5 .852 1.08
K        0     0     0 .936  2.1
O1   .8251 .2255 .1759       1.8
O2   .5216     0 .1711       1.6
O3   .6370 .1690 .3943       1.3
O4   .1332     0 .3924       1.6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd62no.10
_database_code_amcsd 0002396
5.3635 9.2929 10.2837 90 100.28 90 C2/m
atom     x     y     z  occ Biso
SiT  .5748 .1674 .2269 .608  .99
AlT  .5748 .1674 .2269 .392  .99
Al1      0    .5    .5 .122   .9
Fe1      0    .5    .5 .878   .9
Al2      0 .8327    .5 .231  1.1
Fe2      0 .8327    .5 .775  1.1
K        0     0     0 .940  2.4
O1   .8290 .2237 .1770       2.0
O2   .5117     0 .1734       1.9
O3   .6391 .1689 .3950       2.0
O4   .1310     0 .3926       1.6
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd75no.10
_database_code_amcsd 0002397
5.3607 9.2874 10.2664 90 100.30 90 C2/m
atom     x     y     z  occ Biso
SiT  .5740 .1665 .2266  .58  .68
AlT  .5740 .1665 .2266  .42  .68
Al1      0    .5    .5 .864   .8
Fe1      0    .5    .5 .136   .8
Al2      0 .8319    .5 .306  .95
Fe2      0 .8319    .5 .744  .95
K        0     0     0 .928  1.9
O1   .8333 .2205 .1768       2.1
O2   .5069     0 .1740       1.8
O3   .6384 .1697 .3945       1.9
O4   .1309     0 .3928       1.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: sd87no.10
_database_code_amcsd 0002398
5.3582 9.2819 10.2688 90 100.39 90 C2/m
atom     x     y     z  occ Biso
SiT  .5741 .1673 .2271  .57  .73
AlT  .5741 .1673 .2271  .43  .73
Al1      0    .5    .5 .132   .7
Fe1      0    .5    .5 .868   .7
Al2      0 .8327    .5 .334  1.0
Fe2      0 .8327    .5 .722  1.0
K        0     0     0 .920  2.0
O1   .8343 .2190 .1766       2.0
O2   .5020     0 .1748       2.2
O3   .6385 .1700 .3958       1.9
O4   .1289     0 .3928       1.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Annite
Download hom/annite.pdf
Redhammer G J, Beran A, Schneider J, Amthauer G, Lottermoser W
Download am/vol85/AM85_449.pdf
American Mineralogist 85 (2000) 449-465
Spectroscopic and structural properties of synthetic micas on the
annite-siderophyllite binary: Synthesis, crystal structure refinement,
Mossbauer, and infrared spectroscopy
Sample: G-117
_database_code_amcsd 0002399
5.377 9.308 10.283 90 100.22 90 C2/m
atom     x      y      z  occ Biso
SiT  .5754 .16681 .22579 .638  .99
AlT  .5754 .16681 .22579 .112  .99
Al1      0     .5     .5       .87
Fe1      0     .5     .5       .87
Al2      0 .83196     .5       .89
Fe2      0 .83196     .5       .89
K        0      0      0  .99 2.85
Na       0      0      0  .01 2.85
O1   .8260  .2298  .1695      2.01
O2   .5158      0  .1706      1.93
O3   .6319  .1679  .3918      1.44
O4   .1271      0  .3963      1.61
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Aluminocerite-(Ce)
 
Nestola F, Guastoni A, Camara F, Secco L, Dal Negro A, Pedron D, Beran A
Download am/vol94/AM94_487.pdf
American Mineralogist 94 (2009) 487-493
Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and
crystal-structure determination
Locality: Ratti quarry, Baveno, Italy
_database_code_amcsd 0004896
10.645 10.645 38.019 90 90 120 R3c
atom        x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1    .25920 .13369 .06808  .34 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Nd1    .25920 .13369 .06808  .38 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Pr1    .25920 .13369 .06808  .14 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Sm1    .25920 .13369 .06808  .05 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Gd1    .25920 .13369 .06808  .02 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Dy1    .25920 .13369 .06808  .01 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Yb1    .25920 .13369 .06808 .003 .0233  .0239  .0234  .0232  .0122  .0001 -.0008
Ce2    .14123  .2582 .43098  .55 .0224  .0212  .0248  .0227  .0125  .0022  .0049
La2    .14123  .2582 .43098  .24 .0224  .0212  .0248  .0227  .0125  .0022  .0049
Ca2    .14123  .2582 .43098  .20 .0224  .0212  .0248  .0227  .0125  .0022  .0049
Ca3     .2572  .1337  .1759  .57 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
La3     .2572  .1337  .1759  .21 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
Ce3     .2572  .1337  .1759  .18 .0230  .0242  .0215  .0252  .0128 -.0043 -.0039
Si1     .3167  .1467 .36201      .0234   .024   .023   .021   .010  -.002   .000
Si2     .1499  .3268  .1372      .0231   .026   .018   .024   .010   .003   .007
Si3         0      0  .2531       .027   .022   .022   .036  .0109      0      0
AlM1        0      0 -.0014  .61  .026   .027   .027   .024  .0136      0      0
Fe3+M1      0      0 -.0014  .39  .026   .027   .027   .024  .0136      0      0
OH1      .256   .090  .3228       .035   .028   .046   .022   .012  -.005  -.002
O2       .277  .0044  .3854       .025   .032   .012   .033   .011   .001  -.008
O3       .265   .250  .3782       .034   .036   .030   .039   .019   .005   .003
O4       .083  .1684  .0297       .029   .051   .012   .024   .015   .006   .005
O5       .244   .268  .1158       .037   .030   .028   .046   .010   .009   .002
O6      -.018   .269  .1227       .035   .037   .036   .038   .024  -.005  -.001
O7      .1637  .0719  .4679       .027   .014   .013   .053   .006   .006   .007
O8       .142  .2790  .1783       .024   .017   .016   .033   .004   .001  -.003
O9      .1626   .038  .2404       .050   .046   .044   .043   .010  -.017  -.011
OH10        0      0  .2972       .024   .012   .012   .047   .006      0      0
OH11        0      0  .0921       .029   .004   .004    .08   .002      0      0
OH12        0      0  .1607       .018   .011   .011   .033   .006      0      0
OH13        0      0  .4096       .056   .073   .073   .021   .037      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)
 
Perovskite
Download hom/perovskite.pdf
Beran A, Libowitzky E
Download cm/vol34/CM34_803.pdf
The Canadian Mineralogist 34 (1996) 803-809
A single-crystal infrared spectroscopic and X-ray-diffraction study of untwinned
San Benito perovskite containing OH groups
_database_code_amcsd 0005501
5.380 5.440 7.639 90 90 90 Pbnm
atom      x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti        0     .5     0  .0059  .0052  .0045  .0000  .0000 .00025
Ca   .00648  .0356   .25  .0082  .0083  .0079  .0016      0      0
O1    .5711 -.0161   .25  .0082  .0086  .0045  .0002      0      0
O2    .2897  .2888 .0373  .0065  .0060  .0095  .0020 -.0008 -.0010
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample KAIS
Locality: Baden-Wurtemburg, Germany
_database_code_amcsd 0006754
12.122 12.122 12.122 90 90 90 Ia-3d
atom     x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX      0    1/4    1/8  .965  .0089  .0103  .0103  .0062  .0030      0      0
MnX      0    1/4    1/8  .008  .0089  .0103  .0103  .0062  .0030      0      0
NaX      0    1/4    1/8  .006  .0089  .0103  .0103  .0062  .0030      0      0
MgX      0    1/4    1/8  .021  .0089  .0103  .0103  .0062  .0030      0      0
MgY      0      0      0 .0205 .00687  .0069  .0069  .0069  .0003  .0003  .0003
AlY      0      0      0  .112 .00687  .0069  .0069  .0069  .0003  .0003  .0003
TiY      0      0      0  .297 .00687  .0069  .0069  .0069  .0003  .0003  .0003
FeY      0      0      0 .5705 .00687  .0069  .0069  .0069  .0003  .0003  .0003
SiZ    3/8      0    1/4  .819  .0068  .0063  .0070  .0070      0      0      0
TiZ    3/8      0    1/4  .066  .0068  .0063  .0070  .0070      0      0      0
FeZ    3/8      0    1/4  .115  .0068  .0063  .0070  .0070      0      0      0
O    .0379 .04811 .65379        .0104  .0130  .0094  .0088 -.0017  .0025 -.0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample KB166
Locality: Baden-Wurtemburg, Germany
_database_code_amcsd 0006755
12.122 12.122 12.122 90 90 90 Ia-3d
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX       0    1/4    1/8 .9547  .0101  .0116  .0116  .0071  .0031      0      0
MnX       0    1/4    1/8 .0083  .0101  .0116  .0116  .0071  .0031      0      0
NaX       0    1/4    1/8 .0063  .0101  .0116  .0116  .0071  .0031      0      0
NiX       0    1/4    1/8 .0007  .0101  .0116  .0116  .0071  .0031      0      0
KX        0    1/4    1/8 .0003  .0101  .0116  .0116  .0071  .0031      0      0
MgX       0    1/4    1/8 .0297  .0101  .0116  .0116  .0071  .0031      0      0
MgY       0      0      0 .0115 .00809  .0081  .0081  .0081  .0003  .0003  .0003
AlY       0      0      0  .111 .00809  .0081  .0081  .0081  .0003  .0003  .0003
VY        0      0      0  .072 .00809  .0081  .0081  .0081  .0003  .0003  .0003
TiY       0      0      0   .31 .00809  .0081  .0081  .0081  .0003  .0003  .0003
FeY       0      0      0 .4955 .00809  .0081  .0081  .0081  .0003  .0003  .0003
SiZ     3/8      0    1/4  .786  .0080  .0074  .0083  .0083      0      0      0
TiZ     3/8      0    1/4  .069  .0080  .0074  .0083  .0083      0      0      0
FeZ     3/8      0    1/4  .145  .0080  .0074  .0083  .0083      0      0      0
O    .03800 .04804 .65369        .0118  .0146  .0106  .0104 -.0018  .0026 -.0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample NZALA
Locality: N'Zala, Atlas mountains, Morocco
_database_code_amcsd 0006756
12.105 12.105 12.105 90 90 90 Ia-3d
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX       0    1/4    1/8  .965 .00765  .0088  .0088  .0054  .0023      0      0
MnX       0    1/4    1/8  .008 .00765  .0088  .0088  .0054  .0023      0      0
NaX       0    1/4    1/8  .006 .00765  .0088  .0088  .0054  .0023      0      0
MgX       0    1/4    1/8  .021 .00765  .0088  .0088  .0054  .0023      0      0
MgY       0      0      0 .0205 .00577 .00577 .00577 .00577 .00027 .00027 .00027
AlY       0      0      0  .112 .00577 .00577 .00577 .00577 .00027 .00027 .00027
TiY       0      0      0  .297 .00577 .00577 .00577 .00577 .00027 .00027 .00027
FeY       0      0      0 .5705 .00577 .00577 .00577 .00577 .00027 .00027 .00027
SiZ     3/8      0    1/4 .9147  .0058  .0053  .0061  .0061      0      0      0
TiZ     3/8      0    1/4 .0363  .0058  .0053  .0061  .0061      0      0      0
FeZ     3/8      0    1/4  .049  .0058  .0053  .0061  .0061      0      0      0
O    .03859 .04828 .65440        .0090  .0108  .0085  .0077 -.0007  .0015 -.0005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample ZER1
Locality: Zermatt, Valais, Switzerland
_database_code_amcsd 0006757
12.060 12.060 12.060 90 90 90 Ia-3d
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX       0    1/4    1/8 .973 .00711  .0080  .0080  .0053  .0016      0      0
MnX       0    1/4    1/8 .004 .00711  .0080  .0080  .0053  .0016      0      0
NaX       0    1/4    1/8 .001 .00711  .0080  .0080  .0053  .0016      0      0
MgX       0    1/4    1/8 .016 .00711  .0080  .0080  .0053  .0016      0      0
FeX       0    1/4    1/8 .006 .00711  .0080  .0080  .0053  .0016      0      0
AlY       0      0      0 .139 .00502  .0050  .0050  .0050 .00003 .00003 .00003
TiY       0      0      0 .164 .00502  .0050  .0050  .0050 .00003 .00003 .00003
FeY       0      0      0 .697 .00502  .0050  .0050  .0050 .00003 .00003 .00003
SiZ     3/8      0    1/4       .0050  .0044  .0052  .0052      0      0      0
O    .03888 .04815 .65452       .0080  .0086  .0083  .0073 -.0003  .0006  .0000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample SCHAFF
Locality: Schaffhausen area, Switzerland
_database_code_amcsd 0006758
12.038 12.038 12.038 90 90 90 Ia-3d
atom     x     y     z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX      0   1/4   1/8 .978  .0079  .0092  .0092  .0053  .0025      0      0
MnX      0   1/4   1/8 .016  .0079  .0092  .0092  .0053  .0025      0      0
NaX      0   1/4   1/8 .004  .0079  .0092  .0092  .0053  .0025      0      0
MgX      0   1/4   1/8 .002  .0079  .0092  .0092  .0053  .0025      0      0
MgY      0     0     0 .025 .00719  .0072  .0072  .0072  .0000  .0000  .0000
AlY      0     0     0 .248 .00719  .0072  .0072  .0072  .0000  .0000  .0000
VY       0     0     0 .028 .00719  .0072  .0072  .0072  .0000  .0000  .0000
TiY      0     0     0 .112 .00719  .0072  .0072  .0072  .0000  .0000  .0000
FeY      0     0     0 .587 .00719  .0072  .0072  .0072  .0000  .0000  .0000
SiZ    3/8     0   1/4 .931  .0055  .0051  .0057  .0057      0      0      0
TiZ    3/8     0   1/4 .025  .0055  .0051  .0057  .0057      0      0      0
FeZ    3/8     0   1/4 .044  .0055  .0051  .0057  .0057      0      0      0
O    .0386 .0478 .6540       .0087  .0092  .0091  .0078 -.0002  .0005  .0006
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Andradite
Download hom/andradite.pdf
Armbruster T, Birrer J, Libowitzky E, Beran A
 
European Journal of Mineralogy 10 (1998) 907-921
Crystal chemistry of Ti-bearing andradites
Note: sample NAMIB
Locality: Okahandja, Namibia
_database_code_amcsd 0006759
11.764 11.764 11.764 90 90 90 Ia-3d
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX       0    1/4    1/8 .5294 .00796  .0096  .0096  .0048  .0019      0      0
FeX       0    1/4    1/8  .238 .00796  .0096  .0096  .0048  .0019      0      0
MnX       0    1/4    1/8 .2303 .00796  .0096  .0096  .0048  .0019      0      0
NaX       0    1/4    1/8 .0003 .00796  .0096  .0096  .0048  .0019      0      0
MgX       0    1/4    1/8  .002 .00796  .0096  .0096  .0048  .0019      0      0
AlY       0      0      0 .8489  .0051  .0051  .0051  .0051  .0017  .0017  .0017
TiY       0      0      0 .0075  .0051  .0051  .0051  .0051  .0017  .0017  .0017
FeY       0      0      0 .1436  .0051  .0051  .0051  .0051  .0017  .0017  .0017
SiZ     3/8      0    1/4        .0050  .0063  .0044  .0044      0      0      0
O    .03693 .04666 .65247        .0083  .0106  .0078  .0064  .0015 -.0006  .0005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mullite
Download hom/mullite.pdf
Voll D, Lengauer C, Beran A, Schneider H
 
European Journal of Mineralogy 13 (2001) 591-604
Infrared band assignment and structural refinement of
Al-Si, Al-Ge, and Ga-Ge mullites
Sample: Al-Si single-crystal
_database_code_amcsd 0006888
7.5817 7.6813 2.8865 90 90 90 Pbam
atom      x      y  z  occ Biso
AlM       0      0  0       .52
AlT  .14901 .33994 .5   .5  .57
SiT  .14901 .33994 .5 .295  .57
AlT*  .2622  .2055 .5 .205  .53
Od    .1277  .2181  0      1.11
Oab   .3587  .4224 .5      1.03
Oc       .5      0 .5 .383  1.8
Oc*    .451   .049 .5 .205   .8
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mullite
Download hom/mullite.pdf
Voll D, Lengauer C, Beran A, Schneider H
 
European Journal of Mineralogy 13 (2001) 591-604
Infrared band assignment and structural refinement of
Al-Si, Al-Ge, and Ga-Ge mullites
Sample: Al-Si powder data
_database_code_amcsd 0006889
7.5655 7.6883 2.8851 90 90 90 Pbam
atom     x     y  z  occ Biso
AlM      0     0  0       .90
AlT  .1488 .3408 .5   .5  .97
SiT  .1488 .3408 .5  .33  .97
AlT* .2655 .2069 .5  .17  1.2
Od   .1262 .2190  0      1.44
Oab  .3583 .4223 .5      1.35
Oc      .5     0 .5  .49  1.3
Oc*   .449  .051 .5  .17  1.4
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mullite
Download hom/mullite.pdf
Voll D, Lengauer C, Beran A, Schneider H
 
European Journal of Mineralogy 13 (2001) 591-604
Infrared band assignment and structural refinement of
Al-Si, Al-Ge, and Ga-Ge mullites
Sample: Al-Ge powder data
_database_code_amcsd 0006890
7.6530 7.7779 2.9252 90 90 90 Pbam
atom     x     y  z  occ Biso
AlM      0     0  0       .91
AlT  .1500 .3391 .5   .5  .98
GeT  .1500 .3391 .5  .32  .98
AlT* .2701 .2036 .5  .18   .9
Od   .1287 .2128  0      1.42
Oab  .3631 .4208 .5      1.42
Oc      .5     0 .5  .46  1.7
Oc*   .452  .047 .5  .18  1.0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Mullite
Download hom/mullite.pdf
Voll D, Lengauer C, Beran A, Schneider H
 
European Journal of Mineralogy 13 (2001) 591-604
Infrared band assignment and structural refinement of
Al-Si, Al-Ge, and Ga-Ge mullites
Sample: Ga-Ge powder data
_database_code_amcsd 0006891
7.8674 8.0305 3.0148 90 90 90 Pbam
atom     x     y  z  occ Biso
GaM      0     0  0       .85
GaT  .1498 .3409 .5   .5  .86
GeT  .1498 .3409 .5 .345  .86
GaT* .2676 .2123 .5 .155  1.2
Od   .1300 .2163  0       1.4
Oab  .3645 .4233 .5       1.2
Oc      .5     0 .5  .54  2.6
Oc*   .441  .049 .5  .15  3.3
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Beran A, Bittner H
 
Tschermaks Mineralogische und Petrographische Mitteilungen 21 (1974) 11-29
Untersuchungen zur kristallchemie des ilvaits
_database_code_amcsd 0015644
8.800 13.019 5.852 90 90 90 Pbnm
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1  .05099 .11001 .00789  .0015  .0007  .0038  .0000  .0003  .0000
Fe2  .74029 .05888    .25  .0020  .0009  .0053 -.0001      0      0
Ca   .37056 .18712    .75  .0018  .0010  .0057 -.0001      0      0
Si1  .36913 .04051    .25  .0014  .0010  .0016 -.0001      0      0
Si2  .22740 .32012    .25  .0025  .0005  .0044 -.0002      0      0
O1    .0303 -.0092    .75  .0027  .0015  .0101 -.0005      0      0
O2    .2731  .0642  .0182  .0016  .0011  .0034  .0001  .0009 -.0013
O3    .1086  .2212    .25  .0012  .0010  .0085  .0000      0      0
O4    .3287  .3293  .0200  .0022  .0007  .0074 -.0002 -.0001 -.0005
O5    .1020  .4160    .25  .0022  .0011  .0001  .0002      0      0
O6    .0269  .3987    .75  .0042  .0004  .0132  .0000      0      0
OH7   .1097  .2034    .75  .0033  .0003  .0043  .0000      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)
 
Ankerite
Download hom/ankerite.pdf
Beran A, Zemann J
 
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 279-286
Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite
Locality: Erzberg, Etage Dreikonig, Styria, Austria
_database_code_amcsd 0015665
4.830 4.830 16.167 90 90 120 R-3
atom     x      y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca       0      0     0     .01075 .01075 .00051 .005375       0       0
Fe       0      0    .5 .63 .00750 .00750 .00056  .00375       0       0
Mg       0      0    .5 .27 .00750 .00750 .00056  .00375       0       0
Ca       0      0    .5 .05 .00750 .00750 .00056  .00375       0       0
Mn       0      0    .5 .05 .00750 .00750 .00056  .00375       0       0
C        0      0 .2442     .00913 .00913 .00027 .004565       0       0
O    .2506 -.0283 .2449     .01091 .01539 .00127  .00869 -.00083 -.00101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Dolomite
Download hom/dolomite.pdf
Beran A, Zemann J
 
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 279-286
Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite
Locality: Oberdorf, Styria, Austria
_database_code_amcsd 0015666
4.812 4.812 16.020 90 90 120 R-3
atom     x      y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
Ca       0      0     0     .00877 .00877 .00043 .004385       0        0
Mg       0      0    .5 .94 .00453 .00453 .00020 .002265       0        0
Fe       0      0    .5 .05 .00453 .00453 .00020 .002265       0        0
Mn       0      0    .5 .01 .00453 .00453 .00020 .002265       0        0
C        0      0 .2429     .00664 .00664 .00043  .00332       0        0
O    .2485 -.0343 .2439     .00906 .01297 .00090  .00722 -.00065  -.00088
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 23
View in amc, download in amc

Return to AMCSD Home Page