American Mineralogist Crystal Structure Database

4 matching records for this search.

Feruvite
Download hom/feruvite.pdf
Grice J D, Robinson G W
Download cm/vol27/CM27_199.pdf
The Canadian Mineralogist 27 (1989) 199-203
Feruvite, a new member of the tourmaline group, and its crystal structure
Locality: Cuvier Island, New Zealand
_database_code_amcsd 0005228
16.012 16.012 7.245 90 90 120 R3m
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      0  .2222  .62       .0167  .0167  .0197 .00835      0      0
NaX       0      0  .2222  .38       .0167  .0167  .0197 .00835      0      0
FeY  .12299 .06149 .63661  .51       .0102  .0073  .0119  .0051 -.0044 -.0022
MgY  .12299 .06149 .63661 .403       .0102  .0073  .0119  .0051 -.0044 -.0022
TiY  .12299 .06149 .63661 .097       .0102  .0073  .0119  .0051 -.0044 -.0022
AlZ  .29832 .26167 .61132 .787       .0063  .0066  .0065  .0031  .0001  .0008
MgZ  .29832 .26167 .61132 .136       .0063  .0066  .0065  .0031  .0001  .0008
FeZ  .29832 .26167 .61132 .077       .0063  .0066  .0065  .0031  .0001  .0008
SiT  .19151 .18985      0            .0057  .0055  .0067  .0026 -.0003 -.0005
B    .11001 .22003 .45175            .0083  .0095  .0079  .0047 -.0003 -.0006
O1        0      0  .7812            .0201  .0201  .0169 .01005      0      0
O2    .0607  .1214  .4764            .0119  .0065  .0147  .0032  .0010  .0020
O3    .2660  .1330  .5125            .0215  .0166  .0058  .0108  .0019  .0009
O4    .0919  .1838  .0710            .0088  .0168  .0114  .0084 -.0006 -.0012
O5    .1814  .0907  .0902            .0158  .0083  .0118  .0079  .0015  .0008
O6    .1953  .1862  .7789            .0114  .0107  .0080  .0061 -.0007 -.0016
O7    .2842  .2835  .0789            .0091  .0076  .0117  .0018 -.0029 -.0007
O8    .2088  .2695  .4411            .0069  .0110  .0184  .0041  .0006  .0020
H1        0      0   .725       .01
H3     .258   .129   .412       .01
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feruvite
Download hom/feruvite.pdf
Gadas P, Novak M, Cempirek J, Filip J, Galiova M V, Groat L A, Vsiansky D
 
The Canadian Mineralogist 52 (2014) 285-301
Mineral assemblages, compositional variation, and crystal structure of feruvitic
tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek,
Moldanubian zone, Czech Republic
Note: site occupancies from typical X-ray diffraction analysis
Locality: Mirosov, Moldanubian zone, Czech Republic
_database_code_amcsd 0020666
16.0047 16.0047 7.2120 90 90 120 R3m
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca         0       0  .21562 .424  .0147  .0121  .0121  .0201 .00603       0       0
Na         0       0  .21562 .576  .0147  .0121  .0121  .0201 .00603       0       0
FeY  .121449 .060724  .63711 .735 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
MgY  .121449 .060724  .63711 .265 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
AlZ  .298212  .26149  .61103 .948 .00476 .00461 .00495 .00453 .00224  .00001  .00052
FeZ  .298212  .26149  .61103 .052 .00476 .00461 .00495 .00453 .00224  .00001  .00052
Si   .191762 .190127       0      .00432 .00415 .00384 .00483 .00189 -.00029 -.00059
B     .11020  .22040   .4522       .0060  .0056  .0059  .0067  .0030   .0002   .0005
O1         0       0   .7867       .0186  .0176  .0176  .0205  .0088       0       0
O2    .06085  .12169   .4760       .0106  .0113  .0049  .0135 .00243  .00079   .0016
O3    .26752  .13376  .51154      .01124  .0189  .0123  .0046  .0095   .0011  .00055
O4    .09233  .18466  .07091      .00881  .0066  .0133  .0088  .0066 -.00043  -.0009
O5    .18308  .09154  .09101      .00908  .0141  .0064  .0093  .0070   .0017  .00086
O6    .19644  .18751 -.22206      .00735  .0085  .0083  .0050  .0040  -.0002  -.0011
O7    .28480  .28448  .07979      .00767  .0067  .0057  .0082  .0013  -.0021  -.0013
O8    .20935  .27013  .44104      .00898  .0040  .0089  .0137  .0030   .0010   .0023
H3      .261   .1307    .390        .067
H1         0       0    .898         .34
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feruvite
Download hom/feruvite.pdf
Gadas P, Novak M, Cempirek J, Filip J, Galiova M V, Groat L A, Vsiansky D
 
The Canadian Mineralogist 52 (2014) 285-301
Mineral assemblages, compositional variation, and crystal structure of feruvitic
tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek,
Moldanubian zone, Czech Republic
Note: site occupancies from electron density approximation
Locality: Mirosov, Moldanubian zone, Czech Republic
_database_code_amcsd 0020667
16.0047 16.0047 7.2120 90 90 120 R3m
atom       x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Ca         0       0  .21562 .494  .0147  .0121  .0121  .0201 .00603       0       0
Na         0       0  .21562 .451  .0147  .0121  .0121  .0201 .00603       0       0
FeY  .121449 .060724  .63711 .698 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
MgY  .121449 .060724  .63711 .141 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
AlY  .121449 .060724  .63711 .122 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
TiY  .121449 .060724  .63711 .028 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
MnY  .121449 .060724  .63711 .010 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
ZnY  .121449 .060724  .63711 .002 .00735 .00829 .00509 .00973 .00415 -.00384 -.00192
AlZ  .298212  .26149  .61103 .851 .00476 .00461 .00495 .00453 .00224  .00001  .00052
FeZ  .298212  .26149  .61103 .063 .00476 .00461 .00495 .00453 .00224  .00001  .00052
MgZ  .298212  .26149  .61103 .086 .00476 .00461 .00495 .00453 .00224  .00001  .00052
SiT  .191762 .190127       0 .980 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059
AlT  .191762 .190127       0 .020 .00432 .00415 .00384 .00483 .00189 -.00029 -.00059
B     .11020  .22040   .4522       .0060  .0056  .0059  .0067  .0030   .0002   .0005
O1         0       0   .7867 .985  .0186  .0176  .0176  .0205  .0088       0       0
F1         0       0   .7867 .015  .0186  .0176  .0176  .0205  .0088       0       0
O2    .06085  .12169   .4760       .0106  .0113  .0049  .0135 .00243  .00079   .0016
O3    .26752  .13376  .51154 .985 .01124  .0189  .0123  .0046  .0095   .0011  .00055
F3    .26752  .13376  .51154 .015 .01124  .0189  .0123  .0046  .0095   .0011  .00055
O4    .09233  .18466  .07091      .00881  .0066  .0133  .0088  .0066 -.00043  -.0009
O5    .18308  .09154  .09101      .00908  .0141  .0064  .0093  .0070   .0017  .00086
O6    .19644  .18751 -.22206      .00735  .0085  .0083  .0050  .0040  -.0002  -.0011
O7    .28480  .28448  .07979      .00767  .0067  .0057  .0082  .0013  -.0021  -.0013
O8    .20935  .27013  .44104      .00898  .0040  .0089  .0137  .0030   .0010   .0023
H3      .261   .1307    .390 .664   .067
H1         0       0    .898 .664    .34
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Feruvite
Download hom/feruvite.pdf
Grice J D, Ercit T S
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
Sample: Feruvite 53776
Locality: Cuvier Island, New Zealand
_database_code_amcsd 0018788
16.000 16.000 7.248 90 90 120 R3m
atom      x      y      z   occ  Uiso
CaX       0      0  .2222   .62 .0177
NaX       0      0  .2222    .4 .0177
Fe2Y .12298 .06149 .63661   .42 .0095
MgY  .12298 .06149 .63661 .4067 .0095
AlY  .12298 .06149 .63661 .0267 .0095
Fe3Y .12298 .06149 .63661 .1467 .0095
AlZ  .29832 .26167  .6113 .7867 .0067
MgZ  .29832 .26167  .6113 .1367 .0067
Fe3Z .29832 .26167  .6113 .0467 .0067
TiZ  .29832 .26167  .6113   .03 .0067
SiT  .19151 .18985      0 .9617 .0060
BT   .19151 .18985      0   .02 .0060
TiT  .19151 .18985      0 .0167 .0060
B     .1100  .2200  .4518       .0084
O1        0      0  .7812       .0190
O2    .0607  .1214  .4764       .0116
O3    .2660  .1330  .5125       .0141
O4    .0919  .1838  .0710       .0114
O5    .1814  .0907  .0902       .0111
O6    .1953  .1862  .7789       .0098
O7    .2842  .2835  .0789       .0105
O8    .2088  .2695  .4411       .0123
H1        0      0   .725   .60   .01
H3     .258   .129   .412         .01
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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Total number of retrieved datasets: 4
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