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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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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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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Vesuvianite
Download hom/vesuvianite.pdf
Groat L A, Evans R J, Cempirek J, McCammon C, Houzar S
 
American Mineralogist 98 (2013) 1330-1337
Fe-rich and As-bearing vesuvianite and wiluite from Kozlov, Czech Republic
_database_code_amcsd 0019914
15.7250 15.7250 11.7736 90 90 90 *P4/nnc
.25 .25 .25
atom       x       y      z   occ   Uiso
CaX1     .75     .25  .2500       .01067
CaX2 .809918  .04456 .37968       .01080
CaX3  .89867 -.17887 .89420  .962 .01983
FeX3  .89867 -.17887 .89420  .038 .01983
CaX4     .75   .7500 .14375    .5  .0116
FeY1     .75   .7500 .05348    .5  .0195
AlY2       0       0      0 .9538 .01053
AsY2       0       0      0 .0462 .01053
AlY3  .88820  .12073 .12770  .618 .00941
FeY3  .88820  .12073 .12770  .382 .00941
SiZ1     .75     .25      0       .00791
SiZ2  .82162  .04056 .87099 .9711 .00994
AsZ2  .82162  .04056 .87099 .0289 .00994
SiZ3  .91603  .84973 .36435       .00874
BT1    .0537   .0537    .25  .426  .0235
BT2      .25     .25    .25   .90   .038
O1    .77864  .17274 .08478        .0106
O2    .88004  .16113 .28361        .0120
O3    .95692  .22493 .07672        .0147
O4    .93910  .10456 .47001        .0112
O5    .82861  .01162 .18043        .0113
O6    .87975  .72413 .05417        .0150
O7A    .8237   .9446  .8210   .61  .0159
O7B    .8538   .9530  .8044   .39   .019
O8    .93977  .90858 .06781        .0108
O9    .85388  .85388    .25        .0112
O10      .75     .75  .8609  .820  .0392
O11  -.00083  .05937 .14106        .0149
O12A    .185   .2264   .307  .081   .036
O12B   .1517   .2149  .2808  .095   .032
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Olenite
Download hom/olenite.pdf
Cempirek J, Novak M, Ertl A, Hughes J M, Rossman G R, Dyar D
Download cm/vol44/CM44_23.pdf
The Canadian Mineralogist 44 (2006) 23-60
Fe-bearing olenite with tetrahedrally coordinated Al
from an abyssal pegmatite at Kutna Hora, Czech Republic:
structure, crystal chemistry, optical and xanes spectra
Locality: Kutna Hora, Czech Republic
_database_code_amcsd 0006068
15.8838 15.8838 7.1056 90 90 120 R3m
atom       x      y     z  occ   Uiso
NaX        0      0   .75  .54  .0206
CaX        0      0   .75  .14  .0206
KX         0      0   .75  .01  .0206
AlY   .87802 .93901 .3328  .72 .00940
Fe2+Y .87802 .93901 .3328  .26 .00940
Mn2+Y .87802 .93901 .3328  .02 .00940
AlZ   .70287 .73930 .3595  .98 .00786
MgZ   .70287 .73930 .3595  .02 .00786
SiT   .80806 .81011 .9667  .93 .00628
AlT   .80806 .81011 .9667  .07 .00628
B     .89037 .78075 .5162       .0094
O1W        0      0 .1965  .99  .0226
FW         0      0 .1965  .01  .0226
O2    .93921 .87843 .4794       .0164
O3V   .73841 .86921 .4605       .0142
O4    .90572 .81145 .8948       .0141
O5    .81252 .90626 .8717       .0147
O6    .80460 .81545 .1944       .0110
O7    .71296 .71324 .8910      .00969
O8    .79067 .72982 .5309       .0107
H3V     .741  .8703  .580 .415   .059
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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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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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