American Mineralogist Crystal Structure Database

11 matching records for this search.

Vesuvianite
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Groat L A, Evans R J
 
American Mineralogist 97 (2012) 1627-1634
Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden
Note: sample vesuvianite 1
Locality: Langban,Sweden
_database_code_amcsd 0019528
15.5948 15.5948 11.7794 90 90 90 *P4/nnc
.25 .25 .25
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    .75    .25    .25  .90 .0127  .0221  .0102  .0059      0      0      0
MnX1    .75    .25    .25  .10 .0127  .0221  .0102  .0059      0      0      0
CaX2 .81066 .04548 .37882      .0123  .0120  .0146  .0102  .0001 -.0009  .0005
CaX3  .9023  .8205  .8935  .88 .0189  .0185  .0129   .025  .0005 -.0030  .0009
Bi3   .9107  .8365  .8684 .069  .012   .011   .010   .015   .004  -.003   .002
CaX4    .75    .75  .1369 .515 .0142  .0134  .0134   .016      0      0      0
MnY1    .75    .75  .0567 .479 .0155  .0119  .0119   .023      0      0      0
AlY2      0      0      0      .0100  .0084  .0091  .0124 -.0008 -.0002  .0022
AlY3 .88771 .12017 .12598      .0103  .0108  .0120  .0083  .0004  .0008  .0001
MnY3 .88771 .12017 .12598      .0103  .0108  .0120  .0083  .0004  .0008  .0001
SiZ1    .25    .75      0      .0087  .0087  .0087  .0087      0      0      0
SiZ2 .82001 .04132 .87112      .0073  .0081  .0090  .0050 -.0001 -.0011  .0005
SiZ3 .91633 .84938 .36405      .0115  .0161  .0095  .0089  .0006  .0015 -.0007
AsT1  .0555  .0555    .25 .039  .055   .058   .058    .05   .021   .006  -.006
O1    .7797  .1730  .0852      .0124  .0140  .0113   .012 -.0001 -.0002  .0004
O2    .8819  .1603  .2809      .0106  .0133  .0113  .0072  .0007  .0002  .0009
O3    .9541  .2234  .0756      .0114  .0143  .0118  .0079  .0036 -.0003 -.0021
O4    .9391  .1055  .4693      .0111  .0127  .0124   .008 -.0023 -.0013 -.0004
O5    .8284  .0125  .1793      .0141   .015   .018   .009  .0071  .0019  .0000
O6    .8794  .7264  .0581      .0192   .031   .014   .013  .0053 -.0001  .0052
O7A   .8230  .9435  .8220  .61 .0113
O7B    .841  .9493  .8123  .39 .0113
O8    .9394  .9083  .0682      .0105  .0113  .0122  .0081  .0014  .0021  .0000
O9    .8541  .8541    .25      .0135  .0172  .0172   .006  -.006  .0003 -.0003
O10     .75    .75   .883  .63  .021
Cl      .75    .75   .844  .40  .026
O11   .9967  .0608  .1364      .0100  .0071  .0118   .011 -.0004 -.0010 -.0026
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Vesuvianite
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Groat L A, Evans R J
 
American Mineralogist 97 (2012) 1627-1634
Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden
Note: sample vesuvianite 2
Locality: Langban,Sweden
_database_code_amcsd 0019529
15.5852 15.5852 11.7782 90 90 90 *P4/nnc
.25 .25 .25
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      .75     .25     .25  .879 .01045  .0165 .00805 .00676   .000    .000    .000
MnX1      .75     .25     .25  .121 .01045  .0165 .00805 .00676   .000    .000    .000
CaX2  .810436 .045686 .379089  .961 .00884 .00763 .01038 .00850 .00081 -.00083  .00018
MnX2  .810436 .045686 .379089  .039 .00884 .00763 .01038 .00850 .00081 -.00083  .00018
CaX3   .90003  .82040   .8937  .982  .0151 .01199  .0113  .0220 .00113 -.00401  -.0019
Bi3     .9100   .8368   .8658  .015   .010   .013   .010   .006  .0047   .0006    .006
CaX4      .75     .75  .14124  .505  .0116  .0080  .0080  .0188   .000    .000    .000
MnY1A     .75     .75  .06105 .2229  .0075
FeY1      .75     .75  .04018 .2229  .0075 .00621 .00660  .0108 .00034  .00014  .00066
AlY2        0       0       0       .00788 .00754 .00825 .00779 .00017  .00032 -.00004
AlY3   .88896  .12004  .12631  .909 .00786 .00754 .00825 .00779 .00017  .00032 -.00004
MnY3   .88896  .12004  .12631  .091 .00786
SiZ1      .25     .75       0       .00688 .00709 .00709  .0065   .000    .000    .000
SiZ2  .820208 .040952  .87104       .00628 .00611 .00632 .00642 .00004 -.00092  .00046
SiZ3   .91611  .84959  .36419       .00809 .01169 .00593 .00664 .00025  .00051 -.00001
AsT1    .0565   .0565     .25 .0334  .0100  .0102  .0102   .010  .0012  -.0008   .0008
O1     .78047  .17284  .08561       .00983  .0124  .0074  .0097  .0003  -.0005   .0008
O2     .88172  .16035  .28043       .00970  .0094  .0092  .0105 -.0006  -.0030   .0008
O3     .95478  .22343  .07585       .01054  .0129  .0086  .0101  .0027   .0014   .0005
O4     .93917  .10559  .46983       .00873  .0100  .0070  .0092 -.0001  -.0011   .0017
O5     .82863  .01285  .17928       .01184  .0110  .0148  .0097  .0052   .0011  -.0010
O6     .87897  .72567  .05563       .01579  .0246  .0108  .0121  .0035   .0023   .0047
O7A     .8233  .94365   .8213  .564  .0093
O7B     .8421  .94761   .8110  .436  .0093
O8     .93986  .90809  .06794       .00873  .0073  .0082  .0107  .0006   .0025   .0010
O9     .85352  .85352     .25        .0117  .0137  .0137  .0078 -.0038  -.0012   .0012
O10       .75     .75   .8669  1.01  .0183
Cl        .75     .75    .831  .064   .020
O11    .99715  .06086  .13716       .00907  .0078  .0103  .0091 -.0010  -.0015  -.0013
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Vesuvianite
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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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Dumortierite
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Groat L A, Evans R J, Grew E S, Pieczka A
 
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D21
Locality: Hartmannsdorf quarry, 12 km northwest of Chemnitz in Saxony, Germany
_database_code_amcsd 0019559
4.6971 11.8149 20.2267 90 90 90 Pnma
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al1A  .3334    .75  .25050  .264 .00775
Al1    .410    .75  .24960  .423 .00775
Al1B   .479    .75  .24934  .177 .00775
Al2  .55788 .61057 .472550 .9923 .00549 .00417 .00568 .00662 -.00013 -.00032 -.00009
Al3  .05966 .49113 .431125 .9922 .00559 .00402 .00640 .00635  .00010 -.00006 -.00015
Al4  .05850 .35910 .289310 .9885 .00748 .00691 .00759 .00794  .00006 -.00076  .00137
Si1   .0871    .75  .40487 .9614  .0073  .0035  .0051  .0133    .000  -.0001    .000
As1    .108    .75   .3973 .0309  .0065
Sb1    .117    .75   .3789 .0077  .0065
Si2  .58738 .52488  .32822 .9612 .00708 .00427  .0100 .00693 -.00005  .00011 -.00227
As2    .607  .5443   .3218 .0311  .0064
Sb2    .610  .5699   .3143 .0078  .0064
B     .2254    .25  .41611        .0067  .0063  .0071  .0067    .000  -.0001    .000
O1   .37674    .75  .45439       .00776  .0055  .0061  .0117    .000  -.0013    .000
O2    .1510    .75  .32637 .9614 .01296  .0125  .0126  .0138    .000   .0045    .000
O3   .89572 .63925  .42440       .00674  .0046  .0065  .0091 -.00013   .0006  .00041
O4   .40157 .43581  .28267       .00724  .0052  .0087  .0078  -.0005  .00030 -.00132
O5   .39524 .55015  .39349       .00663  .0049  .0082  .0068 -.00057  .00028 -.00067
O6   .88067 .45381  .35051       .00795  .0057  .0103  .0079   .0008  -.0010 -.00187
O7   .64890 .63881  .28694 .9612 .01339  .0137  .0130  .0134  -.0039   .0021   .0006
O8    .1639    .25  .35054       .00900  .0137  .0069  .0063    .000  -.0019    .000
O9   .25449 .35110  .44802       .00733  .0081  .0062  .0077   .0004  -.0016 -.00071
O10  .76083    .25  .27239       .00918  .0063  .0084  .0128    .000  -.0012    .000
O11  .75026 .46648  .48806       .00568  .0042  .0063  .0066 -.00029  .00010  .00013
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Dumortierite
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Groat L A, Evans R J, Grew E S, Pieczka A
 
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D27
Locality: west shore of Lake Uvildy in the Ilmen Mountains, southern Urals, Russia
_database_code_amcsd 0019560
4.6901 11.7874 20.1872 90 90 90 Pnma
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Al1A   .332    .75  .2494  .187  .0074
Al1   .3954    .75  .2498   .43  .0074
Al1B   .475    .75  .2503  .187  .0074
Al2  .55796 .61038 .47240  .977  .0049  .0050  .0046  .0051  .0001 -.0002 -.0003
Al3  .05982 .49106 .43092  .981  .0050  .0049  .0048  .0052  .0000  .0001  .0000
Al4  .05801 .35854 .28907  .974  .0065  .0074  .0059  .0061  .0004 -.0006  .0009
Si1   .0879    .75 .40474  .966  .0056  .0036  .0035  .0096   .000 -.0001   .000
Si2  .58827 .52567 .32776  .962 .00565  .0047  .0071  .0052  .0002  .0001 -.0017
As1    .118    .75  .3875  .027   .008
As2    .616  .5634  .3158 .0301   .006
Sb1    .057    .75   .358 .0069   .008
Sb2    .555   .597  .3063 .0075   .006
B     .2266    .25 .41616        .0073  .0090  .0045  .0085   .000  .0009   .000
O1    .3775    .75 .45410  .962  .0050  .0038  .0031  .0080   .000 -.0005   .000
O1SB   .406    .75   .397  .038   .005
O2    .1498    .75 .32539  .966  .0123  .0129  .0125  .0114   .000  .0029   .000
O3    .8957 .63919 .42401        .0064  .0064  .0059  .0068  .0000  .0006 -.0007
O4    .4000 .43608 .28232        .0063  .0065  .0056  .0068  .0008  .0003 -.0004
O5    .3953 .55058 .39335        .0064  .0068  .0060  .0063  .0001 -.0002 -.0001
O6    .8813 .45370 .35027  .969  .0054  .0047  .0061  .0052 -.0001  .0000 -.0011
O6SB   .899   .510   .323  .031   .005
O7    .6478 .64005 .28647  .966  .0118  .0136  .0104  .0114 -.0019  .0006  .0010
O8    .1674    .25 .35049        .0089  .0159  .0047  .0062   .000 -.0014   .000
O9    .2545 .35107 .44822        .0072  .0104  .0052  .0059 -.0003 -.0008 -.0012
O10   .7598    .25 .27233        .0074  .0053  .0058  .0111   .000  .0003   .000
O11   .7503 .46626 .48804        .0048  .0036  .0055  .0052  .0000 -.0001 -.0002
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Dumortierite
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Groat L A, Evans R J, Grew E S, Pieczka A
 
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D31
Locality: Tonagh Island in Amundsen Bay, Enderby Land, East Antarctica
_database_code_amcsd 0019561
4.6871 11.7901 20.1825 90 90 90 Pnma
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Al1A   .335    .75  .25033   .26  .0071
Al1    .412    .75  .24963  .481  .0071
Al1B   .487    .75   .2495   .14  .0071
Al2  .55802 .61051 .472482  .990 .00506  .0046 .00526 .00530 -.00017 -.00033 -.00012
Al3  .05971 .49106 .431009  .990 .00517  .0046 .00602 .00488  .00006  .00006 -.00010
Al4  .05802 .35872 .289074  .984 .00662  .0071 .00669 .00606 -.00008 -.00080  .00107
Si1   .0874    .75   .4045 .9592  .0068  .0044  .0054  .0106       0  -.0003       0
As1    .105    .75    .399 .0326   .002
Sb1    .113    .75   .3802 .0082   .002
Si2   .5875 .52556  .32794 .9583  .0063  .0046  .0091  .0051  -.0002   .0003  -.0019
As2    .608  .5417   .3214 .0333  .0055
Sb2    .607  .5735   .3153 .0083  .0055
B     .2261    .25  .41615        .0067  .0066  .0067  .0067       0   .0000       0
O1    .3767    .75  .45417        .0072  .0058  .0059  .0099       0  -.0011       0
O2    .1500    .75  .32577 .9592  .0128  .0135  .0129  .0118       0   .0042       0
O3   .89571 .63919  .42411       .00609  .0055  .0057  .0070   .0001   .0005  -.0004
O4   .40051 .43611  .28251       .00632  .0051  .0078  .0060   .0001   .0006  -.0009
O5   .39510 .55028  .39341       .00600  .0053  .0076  .0052  -.0006  -.0001  -.0008
O6   .88080 .45396  .35023       .00709  .0056  .0093  .0064   .0009  -.0006  -.0017
O7    .6481 .63972  .28660 .9583  .0128  .0157  .0116  .0110  -.0025   .0014   .0012
O8    .1641    .25  .35051        .0087  .0144  .0062  .0055       0  -.0018       0
O9   .25468 .35117  .44805       .00697  .0088  .0059  .0062   .0004  -.0017  -.0010
O10   .7611    .25  .27224        .0081  .0064  .0072  .0109       0  -.0003       0
O11  .75011 .46640  .48808       .00487  .0040  .0058  .0048  -.0002   .0001   .0000
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Dumortierite
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Groat L A, Evans R J, Grew E S, Pieczka A
 
The Canadian Mineralogist 50 (2012) 855-872
The crystal chemistry of As- and Sb-bearing dumortierite
Sample: D67
Locality: the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica
_database_code_amcsd 0019562
4.6995 11.7790 20.1671 90 90 90 Pnma
atom      x      y       z   occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
AlA    .348    .75  .24931   .30 .00642
Al1    .413    .75  .25011   .42 .00642
AlB    .465    .75   .2507   .12 .00642
Al2  .55801 .61028 .472362 .9926 .00453 .00453 .00417 .00487 -.00018 -.00027 -.00015
Al3  .05978 .49104 .430841 .9900 .00445 .00417 .00471 .00447  .00005 -.00011 -.00012
Al4  .05696 .35809 .288563 .9924 .00589 .00629 .00564 .00574 -.00009 -.00049  .00120
Si1  .08747    .75 .404975       .00563 .00451 .00412 .00825       0 -.00026       0
Si2  .58740 .52501 .327921       .00561 .00504 .00663 .00515  .00005  .00006 -.00083
B     .2254    .25  .41616        .0056  .0053  .0059  .0057       0  -.0001       0
O1   .37688    .75  .45354       .00582  .0051  .0042  .0082       0  -.0013       0
O2    .1477    .75  .32501       .01066  .0111  .0129  .0080       0   .0015       0
O3   .89586 .63937  .42397       .00550  .0047  .0044  .0074  -.0003   .0003  -.0002
O4   .39912 .43669  .28250       .00579  .0051  .0067  .0056   .0000   .0002  -.0009
O5   .39527 .55070  .39328       .00553  .0052  .0064  .0050  -.0008  .00001  -.0009
O6   .88086 .45479  .34985       .00631  .0057  .0075  .0057   .0009  -.0005  -.0016
O7   .64639 .64080  .28635       .01080  .0122  .0085  .0117  -.0012   .0011   .0020
O8    .1605    .25  .35081       .00717  .0128  .0044  .0044       0  -.0024       0
O9   .25519 .35121  .44821       .00622  .0083  .0044  .0059   .0006  -.0018  -.0007
O10  .76073    .25  .27190       .00696  .0059  .0057  .0093       0  -.0006       0
O11  .75038 .46621  .48795       .00459  .0044  .0044  .0050  -.0001  -.0001  -.0001
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Holtite
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Groat L A, Grew E S, Evans R J, Pieczka A, Ercit T S
 
Mineralogical Magazine 73 (2009) 1033-1050
The crystal chemistry of holtite
Sample: H1
Locality: Voroni Tundry, Kola Peninsula, Murmanskaja Oblast, Russia
_database_code_amcsd 0019925
4.6818 11.867 20.302 90 90 90 Pnma
atom      x      y      z  occ   Uiso
Al1  .40099    .75 .25024  .55 .01537
Ta1  .40099    .75 .25024  .32 .01537
Al2  .55777 .61051 .47331 .985  .0054
Al3  .05959 .49029 .43152 .985  .0053
Al4  .06075 .35985 .29022 .915  .0079
Si1   .0868    .75 .40833  .87  .0054
Sb1   .1109    .75  .3861 .066  .0107
As1   .1109    .75  .3861 .064  .0107
Si2   .5875  .5205 .32972 .870  .0055
Sb2   .6091  .5596 .31736 .086  .0089
As2   .6091  .5596 .31736 .044  .0089
B     .2280    .25  .4156       .0070
O1    .3777    .75 .45681       .0072
O2    .1613    .75 .33042  .87  .0104
O3    .8943 .63873 .42518       .0068
O4    .4039 .43460 .28240       .0082
O5    .3942 .54999 .39419       .0069
O6    .8811 .45102 .35231       .0078
O7    .6585  .6333 .28894 .870  .0116
O8    .1752    .25 .34978       .0100
O9    .2539 .35050 .44768       .0074
O10   .7568    .25 .27390       .0109
O11   .7501 .46706 .48832       .0054
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Holtite
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Groat L A, Grew E S, Evans R J, Pieczka A, Ercit T S
 
Mineralogical Magazine 73 (2009) 1033-1050
The crystal chemistry of holtite
Sample: H2
Locality: Greenbushes tinfield, Bridgetown-Greenbushes Shire, Australia
_database_code_amcsd 0019926
4.6981 11.926 20.413 90 90 90 Pnma
atom      x      y      z  occ   Uiso
Al1  .40077    .75 .25027  .56 .01530
Ta1  .40077    .75 .25027  .23 .01530
Al2  .55782 .61049 .47333 .995  .0053
Al3  .05953 .49028 .43151  .99  .0049
Al4   .0602 .35952 .29005 .930  .0073
Si1   .0862    .75 .40839 .884  .0050
Sb1   .1103    .75  .3865 .056  .0103
As1   .1103    .75  .3865 .060  .0103
Si2   .5871 .52053 .32979 .883  .0054
Sb2   .6086  .5589 .31747 .077  .0093
As2   .6086  .5589 .31747 .039  .0093
B     .2274    .25  .4155       .0066
O1    .3774    .75 .45674       .0063
O2    .1613    .75 .33048 .884  .0106
O3    .8943 .63880 .42516       .0062
O4    .4035 .43452 .28251       .0073
O5    .3944 .54984 .39427       .0063
O6    .8807 .45119 .35208       .0070
O7    .6586  .6333 .28880 .883  .0108
O8    .1726    .25 .34990       .0087
O9    .2537 .35049 .44776       .0068
O10   .7576    .25 .27364       .0102
O11   .7500 .46710 .48826       .0052
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Holtite
Download hom/holtite.pdf
Groat L A, Grew E S, Evans R J, Pieczka A, Ercit T S
 
Mineralogical Magazine 73 (2009) 1033-1050
The crystal chemistry of holtite
Sample: H3
Locality: Greenbushes tinfield, Bridgetown-Greenbushes Shire, Australia
_database_code_amcsd 0019927
4.6900 11.897 20.385 90 90 90 Pnma
atom      x      y      z  occ  Uiso
Al1  .40563    .75 .24991  .46 .0050
Ta1  .40563    .75 .24991  .26 .0050
Al2   .5571 .61078 .47353 .994 .0039
Al3   .0586 .48992 .43149 .992 .0041
Al4   .0598 .35925 .29023 .971 .0061
Si1   .0874    .75  .4079 .718 .0033
Sb1   .1135    .75 .38349 .240 .0067
As1   .1135    .75 .38349 .042 .0067
Si2   .5878  .5209 .32970 .719 .0041
Sb2   .6108  .5619 .31676 .276 .0060
As2   .6108  .5619 .31676 .005 .0060
B     .2265    .25  .4160      .0047
O1    .3790    .75  .4573      .0057
O2    .1622    .75  .3303 .718 .0086
O3    .8914  .6380 .42427      .0055
O4    .4017  .4349 .28166      .0062
O5    .3918  .5507 .39412      .0050
O6    .8828  .4506 .35194      .0060
O7    .6607  .6331 .28848 .719 .0086
O8    .1737    .25 .35013      .0071
O9    .2540  .3506 .44791      .0057
O10   .7611    .25  .2732      .0080
O11   .7500  .4673 .48840      .0037
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Holtite
Download hom/holtite.pdf
Groat L A, Grew E S, Evans R J, Pieczka A, Ercit T S
 
Mineralogical Magazine 73 (2009) 1033-1050
The crystal chemistry of holtite
Sample: H4
Locality: Mt. Szklana Mine, Szklary, Zabkowice, Lower Silesia, Poland
_database_code_amcsd 0019928
4.7264 11.981 20.566 90 90 90 Pnma
atom     x     y     z  occ Uiso
Al1  .4048   .75 .2504  .62 .030
Ta1  .4048   .75 .2504  .11 .030
Al2  .5577 .6107 .4733      .012
Al3  .0594 .4893 .4311      .010
Al4  .0596 .3577 .2894  .96 .013
Si1   .089   .75 .4080 .726 .018
Sb1   .113   .75 .3864  .22 .016
As1   .113   .75 .3864  .06 .016
Si2   .591 .5225 .3295  .73 .009
Sb2   .610 .5596 .3171  .20 .015
As2   .610 .5596 .3171  .08 .015
B     .234   .25  .416      .017
O1    .376   .75 .4566      .013
O2    .159   .75 .3286 .726 .022
O3    .891 .6381 .4247      .013
O4    .401 .4363 .2824      .012
O5    .392 .5513 .3948      .010
O6    .886 .4475 .3518      .013
O7    .658  .635 .2880  .73 .022
O8    .178   .25 .3498      .012
O9    .253 .3504 .4474      .018
O10   .769   .25 .2730      .014
O11   .749 .4683 .4871      .007
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 11
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