American Mineralogist Crystal Structure Database

7 matching records for this search.

Allanite-(Nd)
 
Skoda R, Cempirek J, Filip J, Novak M, Veselovsky F, Ctvrtlik R
 
American Mineralogist 97 (2012) 983-988
Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden
Locality: Askagen pegmatite, Varmland, Sweden
_database_code_amcsd 0018878
8.8897 5.7308 10.1010 90 115.166 90 P2_1/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)
Ca1  .75598   .75 .14977 .872  .0166  .0243  .0125  .0167      0  .0125      0
Mn1  .75598   .75 .14977 .128  .0166  .0243  .0125  .0167      0  .0125      0
Nd2  .59422   .75 .43015 .712 .01612 .01462 .01892 .01285      0 .00393      0
Ca2  .59422   .75 .43015 .288 .01612 .01462 .01892 .01285      0 .00393      0
Al1       0     0      0 .867  .0111  .0108  .0088  .0130 -.0004  .0044  .0002
Fe1       0     0      0 .133  .0111  .0108  .0088  .0130 -.0004  .0044  .0002
Al2       0     0     .5       .0109  .0108  .0082  .0127  .0000  .0042 -.0003
Fe3  .30158   .25 .21539 .831  .0137  .0118  .0122  .0136      0  .0019      0
Al3  .30158   .25 .21539 .169  .0137  .0118  .0122  .0136      0  .0019      0
Si1  .33821   .75 .03982       .0119  .0125  .0103  .0123      0  .0048      0
Si2  .68558   .25 .27747       .0123  .0131  .0106  .0126      0  .0050      0
Si3  .18939   .75 .32483       .0115  .0113  .0109  .0121      0  .0049      0
O1    .2318 .9888  .0267       .0163  .0149  .0113  .0241  .0015  .0096  .0017
O2    .3153 .9725  .3686       .0175  .0177  .0175  .0178 -.0039  .0080 -.0011
O3    .7970 .0148  .3360       .0176  .0149  .0115  .0192  .0011  .0005 -.0017
O4    .0562   .25  .1296       .0142  .0128  .0149  .0146      0  .0055      0
O5    .0507   .75  .1511       .0144  .0137  .0150  .0153      0  .0070      0
O6    .0682   .75  .4116       .0133  .0159  .0109  .0149      0  .0084      0
O7    .5090   .75  .1837       .0186  .0155  .0185  .0184      0  .0040      0
O8    .5403   .25  .3292       .0250  .0178  .0386  .0206      0  .0100      0
O9    .6096   .25  .0982       .0201  .0214  .0247  .0157      0  .0094      0
O10   .0874   .25  .4297       .0150  .0173  .0136  .0164      0  .0094      0
H10    .072   .25   .339        .029
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View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
Skoda R, Breiter K, Klementova M, Duda R, Groat L A
 
American Mineralogist 98 (2013) 485-492
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
Locality: Zlata Idka, Slovak Republic
_database_code_amcsd 0019853
15.916 15.916 7.1071 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)
Na        0       0  .0825  .591 .0229  .0223  .0223   .024  .0111      0       0
Ca        0       0  .0825  .103 .0229  .0223  .0223   .024  .0111      0       0
AlY  .12237  .06118 .50346 .6283 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
FeY  .12237  .06118 .50346 .3693 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
MnY  .12237  .06118 .50346 .0017 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
TiY  .12237  .06118 .50346 .0007 .0119  .0113  .0098  .0151  .0057 -.0019 -.00095
AlZ  .29700  .36937 .14311 .9047 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
MgZ  .29700  .36937 .14311 .0953 .0104  .0113  .0109  .0098  .0060  .0001  -.0004
Si   .19214  .19002 .86941 .9177 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
Al   .19214  .19002 .86941 .0823 .0080  .0081  .0082  .0076  .0041 -.0002  -.0008
B    .10971   .2194  .3182       .0142  .0172   .015  .0094  .0077 -.0002  -.0004
O1        0       0  .6394       .0269  .0314  .0314   .018  .0157      0    .000
O2   .06060   .1212  .3556       .0210  .0251  .0147  .0197  .0073  .0001   .0002
O3    .2620  .13101  .3745       .0189  .0291  .0171  .0144  .0146  .0005   .0003
O4    .1869  .09346  .9640       .0198  .0243  .0168  .0208  .0121 -.0001       0
O5   -.1883 -.09417 -.0580       .0192  .0250  .0188  .0160  .0125  .0018   .0009
O6   .19549  .18438  .6403       .0150  .0165  .0169  .0111  .0080  .0012   .0008
O7   .28759  .28731  .9447       .0142  .0135  .0138  .0133  .0053  .0002  -.0003
O8   .20909  .26975  .3046       .0145  .0136  .0152  .0153  .0075 -.0001   .0018
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View JMOL 3-D Structure (permalink)
 
Oxy-schorl
 
Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
Skoda R, Breiter K, Klementova M, Duda R, Groat L A
 
American Mineralogist 98 (2013) 485-492
Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
Locality: Pribyslavice, Czech Republic
_database_code_amcsd 0019854
15.9853 15.9853 7.1538 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)
NaX       0       0   .9019  .586  .0266  .0267  .0267  .0263  .0134       0       0
CaX       0       0   .9019  .017  .0266  .0267  .0267  .0263  .0134       0       0
KX        0       0   .9019  .006  .0266  .0267  .0267  .0263  .0134       0       0
FeY  .87496 .937481  .50264 .6263 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
MnY  .87496 .937481  .50264  .005 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlY  .87496 .937481  .50264 .3377 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
TiY  .87496 .937481  .50264  .031 .00869  .0087 .00611  .0121 .00433 -.00216 -.00108
AlZ  .70355  .63191 -.14783 .9553 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
MgZ  .70355  .63191 -.14783 .0317 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
FeZ  .70355  .63191 -.14783  .013 .00590  .0062  .0058  .0058 .00309  .00034 -.00008
SiT  .80806  .81008  .12963 .9907 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
AlT  .80806  .81008  .12963 .0093 .00569  .0054 .00520  .0064 .00266 -.00021 -.00044
B    .88991  .77981   .6753        .0076  .0077  .0074  .0074  .0037   .0000   .0000
O1        0       0   .3485  .579  .0363  .0494  .0494  .0102  .0247       0       0
F         0       0   .3485  .307  .0363  .0494  .0494  .0102  .0247       0       0
OH        0       0   .3485  .115  .0363  .0494  .0494  .0102  .0247       0       0
O2   .93822  .87643   .6435        .0151  .0207  .0069  .0132  .0035   .0004   .0008
O3   .73144  .86572   .6201        .0123  .0213  .0123  .0063  .0107   .0007   .0004
O4   .81267  .90634   .0387        .0103  .0145  .0074  .0114  .0072   .0011   .0006
O5   .18631  .09316   .0618        .0104  .0149  .0082  .0105  .0075   .0012   .0006
O6   .80182  .81238  .35415        .0089  .0090  .0103  .0070  .0047  -.0003  -.0009
O7   .71481  .71419  .05039        .0086  .0088  .0068  .0082  .0024  -.0009  -.0008
O8   .79017  .72936 -.31139        .0097  .0075  .0115  .0111  .0054   .0010   .0021
H3     .735   .8677    .732         .21
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Ferro-axinite
Download hom/ferroaxinite.pdf
Filip J, Kolitsch U, Novak M, Schneeweiss O
Download cm/vol44/CM44_1159.pdf
The Canadian Mineralogist 44 (2006) 1159-1170
The crystal structure of near-end-member ferroaxinite from an iron-contaminated
pegmatite at Malesov, Czech Republic
Locality: Malesov, Czech Republic
_database_code_amcsd 0006111
7.152 9.206 8.962 91.84 98.17 77.33 P-1
atom      x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaX1 .74654  .34815  .39531       .00780 .00888 .00599 .00774 -.00090 -.00066  .00133
CaX2 .18294  .10007  .08383       .00845 .00941 .00784 .00767 -.00303 -.00257  .00229
FeY  .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
MgY  .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
AlZ1 .05241  .80071  .25398 .9837 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
FeZ1 .05241  .80071  .25398 .0163 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
AlZ2 .35207  .93593  .42115       .00415 .00418 .00429 .00414 -.00133  .00059 -.00033
BT5  .46146  .63436  .28684       .00474  .0046  .0049  .0047  -.0009   .0008  -.0004
SiT1 .21024  .44997  .23430       .00447 .00501 .00399 .00438 -.00106  .00035  .00039
SiT2 .21917  .27475  .52333       .00379 .00349 .00387 .00406 -.00101  .00036  .00019
SiT3 .69820  .25644  .01151       .00459 .00519 .00459 .00374 -.00041  .00070  .00040
SiT4 .64140  .01946  .23044       .00413 .00392 .00491 .00372 -.00115  .00077  .00019
O1   .05360  .60321  .18957       .00670  .0068  .0049  .0078  -.0006  -.0002   .0002
O2   .23119  .33833  .09578       .00882  .0116  .0072  .0077  -.0019   .0018  -.0021
O3   .41844  .48704  .31215       .00670  .0055  .0053  .0095  -.0023  -.0005   .0013
O4   .13537  .37210  .36980       .00996  .0083  .0132  .0087  -.0032  -.0003   .0062
O5   .02163  .24270  .56436       .00626  .0051  .0087  .0057  -.0026   .0014   .0009
O6   .32702  .38060  .64393       .00649  .0048  .0061  .0081  -.0015  -.0005  -.0019
O7   .38056  .12747  .49578       .00539  .0046  .0045  .0067  -.0006   .0005  -.0014
O8   .53476  .34395  .87689       .00692  .0072  .0080  .0048   .0007   .0014   .0014
O9   .87563  .15555  .93367       .00590  .0057  .0061  .0055  -.0001   .0017  -.0002
O10  .76780  .36672  .13914       .00874  .0113  .0081  .0068  -.0028   .0006  -.0017
O11  .60268  .13512  .08713       .00901  .0100  .0099  .0078  -.0032   .0009   .0044
O12  .43624  .98117  .24413       .00590  .0048  .0086  .0051  -.0027   .0011   .0007
O13  .72081  .10006  .38469       .00604  .0070  .0071  .0045  -.0027   .0008  -.0010
O14  .79432  .87507  .17743       .00700  .0050  .0081  .0067   .0008   .0003  -.0011
O15  .32502  .74622  .35434       .00497  .0046  .0047  .0057  -.0008   .0011  -.0011
Oh16 .09682  .99539  .32260       .00578  .0047  .0062  .0064  -.0007   .0014  -.0009
H      .993    .963    .631         .021
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View JMOL 3-D Structure (permalink)
 
Axinite-(Fe)
Download hom/axinitefe.pdf
Filip J, Kolitsch U, Novak M, Schneeweiss O
Download cm/vol44/CM44_1159.pdf
The Canadian Mineralogist 44 (2006) 1159-1170
The crystal structure of near-end-member ferroaxinite from an iron-contaminated
pegmatite at Malesov, Czech Republic
Locality: Malesov, Czech Republic
_database_code_amcsd 0006112
7.152 9.206 8.962 91.84 98.17 77.33 P-1
atom      x       y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CaX1 .74654  .34815  .39531       .00780 .00888 .00599 .00774 -.00090 -.00066  .00133
CaX2 .18294  .10007  .08383       .00845 .00941 .00784 .00767 -.00303 -.00257  .00229
FeY  .76793 .590928 .111915 .9413 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
MgY  .76793 .590928 .111915 .0587 .00825 .00543 .01147 .00813 -.00209  .00081  .00305
AlZ1 .05241  .80071  .25398 .9837 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
FeZ1 .05241  .80071  .25398 .0163 .00379 .00382 .00396 .00362 -.00084  .00061  .00019
AlZ2 .35207  .93593  .42115       .00415 .00418 .00429 .00414 -.00133  .00059 -.00033
BT5  .46146  .63436  .28684       .00474  .0046  .0049  .0047  -.0009   .0008  -.0004
SiT1 .21024  .44997  .23430       .00447 .00501 .00399 .00438 -.00106  .00035  .00039
SiT2 .21917  .27475  .52333       .00379 .00349 .00387 .00406 -.00101  .00036  .00019
SiT3 .69820  .25644  .01151       .00459 .00519 .00459 .00374 -.00041  .00070  .00040
SiT4 .64140  .01946  .23044       .00413 .00392 .00491 .00372 -.00115  .00077  .00019
O1   .05360  .60321  .18957       .00670  .0068  .0049  .0078  -.0006  -.0002   .0002
O2   .23119  .33833  .09578       .00882  .0116  .0072  .0077  -.0019   .0018  -.0021
O3   .41844  .48704  .31215       .00670  .0055  .0053  .0095  -.0023  -.0005   .0013
O4   .13537  .37210  .36980       .00996  .0083  .0132  .0087  -.0032  -.0003   .0062
O5   .02163  .24270  .56436       .00626  .0051  .0087  .0057  -.0026   .0014   .0009
O6   .32702  .38060  .64393       .00649  .0048  .0061  .0081  -.0015  -.0005  -.0019
O7   .38056  .12747  .49578       .00539  .0046  .0045  .0067  -.0006   .0005  -.0014
O8   .53476  .34395  .87689       .00692  .0072  .0080  .0048   .0007   .0014   .0014
O9   .87563  .15555  .93367       .00590  .0057  .0061  .0055  -.0001   .0017  -.0002
O10  .76780  .36672  .13914       .00874  .0113  .0081  .0068  -.0028   .0006  -.0017
O11  .60268  .13512  .08713       .00901  .0100  .0099  .0078  -.0032   .0009   .0044
O12  .43624  .98117  .24413       .00590  .0048  .0086  .0051  -.0027   .0011   .0007
O13  .72081  .10006  .38469       .00604  .0070  .0071  .0045  -.0027   .0008  -.0010
O14  .79432  .87507  .17743       .00700  .0050  .0081  .0067   .0008   .0003  -.0011
O15  .32502  .74622  .35434       .00497  .0046  .0047  .0057  -.0008   .0011  -.0011
Oh16 .09682  .99539  .32260       .00578  .0047  .0062  .0064  -.0007   .0014  -.0009
H      .993    .963    .631         .021
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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
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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
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Total number of retrieved datasets: 7
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