American Mineralogist Crystal Structure Database

11 matching records for this search.

Dumortierite
Download hom/dumortierite.pdf
Alexander V D, Griffen D T, Martin T J
Download am/vol71/AM71_786.pdf
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #2, BYU 12-5027, from Yuma Co., Arizona, USA
_database_code_amcsd 0001022
11.786 20.209 4.692 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4053 .0877      .0042  .0114  .0031      0      0  .0009
Si2  .5240 .3281 .5876 .99  .0082  .0070  .0032 -.0004  .0004  .0003
Al1    .75 .2502 .3981 .93  .0067  .0122  .0836      0      0 -.0043
Al2  .6103 .4722 .5573 .98  .0044  .0058  .0026  .0003 -.0003 -.0004
Al3  .4913 .4307 .0595 .97  .0044  .0048  .0018 -.0006  .0000  .0001
Al4  .3581 .2893 .0578 .99  .0073  .0075  .0053  .0011 -.0005 -.0002
B      .25 .4159 .2284      .0030  .0012  .0114      0      0  .0003
O1     .75 .4537 .3788      .0058  .0213  .0060      0      0 -.0038
O2     .75 .3258 .1488      .0102  .0216  .0099      0      0  .0024
O3   .6390 .4242 .8967      .0076  .0171  .0045 -.0006  .0002  .0022
O4   .4364 .2824 .4014      .0104  .0143  .0054 -.0025  .0021 -.0018
O5   .5496 .3933 .3972      .0135  .0070  .0061 -.0009 -.0015  .0005
O6   .4537 .3504 .8846      .0137  .0093  .0066 -.0021  .0030 -.0018
O7   .6396 .2868 .6479      .0154  .0129  .0091  .0016 -.0023  .0009
O8     .25 .3500 .1685      .0038  .0102  .0212      0      0 -.0032
O9   .3507 .4482 .2553      .0059  .0109  .0119 -.0041  .0011 -.0021
O10    .25 .2723 .7603      .0048  .0145  .0060      0      0 -.0022
O11  .4663 .4881 .7505      .0057  .0072  .0047  .0006  .0004  .0000
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Dumortierite
Download hom/dumortierite.pdf
Alexander V D, Griffen D T, Martin T J
Download am/vol71/AM71_786.pdf
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #7, BYU 12-5119, from Virgin Mtns., Nevada, USA
O5y and O11x have been editted
_database_code_amcsd 0001023
11.798 20.210 4.710 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4053 .0871      .0027  .0102  .0029      0      0  .0001
Si2  .5243 .3283 .5870      .0066  .0056  .0036 -.0016  .0000  .0004
Al1    .75 .2498 .3997 .84  .0050  .0073  .0492      0      0 -.0002
Al2  .6104 .4725 .5580      .0029  .0045  .0035 -.0002 -.0003 -.0004
Al3  .4911 .4311 .0595      .0036  .0047  .0029 -.0001  .0001  .0000
Al4  .3586 .2891 .0576      .0047  .0063  .0058  .0014 -.0001 -.0011
B      .25 .4160 .2251      .0051  .0053  .0052      0      0 -.0009
O1     .75 .4540 .3771      .0056  .0131  .0066      0      0 -.0017
O2     .75 .3265 .1498      .0145  .0184  .0138      0      0  .0047
O3   .6394 .4243 .8963      .0057  .0105  .0055  .0005 -.0003  .0003
O4   .4359 .2827 .4011      .0077  .0110  .0067 -.0018 -.0007  .0005
O5   .5500 .3933 .3963      .0072  .0088  .0061 -.0003 -.0006  .0002
O6   .4539 .3502 .8805      .0100  .0107  .0077 -.0017  .0006 -.0007
O7   .6385 .2870 .6477      .0138  .0158  .0145  .0006 -.0042  .0026
O8     .25 .3505 .1621      .0059  .0101  .0146      0      0 -.0029
O9   .3511 .4479 .2548      .0058  .0096  .0094 -.0004  .0004 -.0019
O10    .25 .2724 .7612      .0082  .0143  .0073      0      0 -.0016
O11  .4664 .4881 .7499      .0046  .0080  .0049  .0002  .0000 -.0002
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Dumortierite
Download hom/dumortierite.pdf
Alexander V D, Griffen D T, Martin T J
Download am/vol71/AM71_786.pdf
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #10, USNM 96698, from Petaca, New Mexco, USA
_database_code_amcsd 0001024
11.800 20.222 4.699 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4055 .0881      .0024  .0132  .0054      0      0  .0000
Si2  .5237 .3282 .5875 .99  .0058  .0089  .0057 -.0005  .0002 -.0002
Al1    .75 .2497 .3993 .91  .0031  .0100  .0824      0      0 -.0013
Al2  .6104 .4722 .5582 .98  .0023  .0076  .0054  .0006  .0002 -.0001
Al3   .491 .4308 .0599 .98  .0029  .0078  .0041 -.0010  .0002  .0001
Al4  .3577 .2892 .0577 .99  .0051  .0096  .0085  .0008  .0008 -.0008
B      .25 .4153 .2325 .98  .0001  .0105  .0042      0      0  .0003
O1     .75 .4532 .3791      .0061  .0183  .0075      0      0 -.0044
O2     .75 .3267 .1503      .0078  .0173  .0137      0      0  .0027
O3   .6387 .4249 .8964      .0067  .0163  .0063 -.0025 -.0017  .0032
O4   .4355 .2821 .3997      .0079  .0175  .0089  .0008  .0005 -.0002
O5   .5491 .3933 .3969      .0107  .0105  .0054  .0024 -.0012  .0015
O6   .4544 .3505 .8827      .0114  .0123  .0081 -.0020  .0022 -.0024
O7   .6387 .2868 .6484      .0108  .0175  .0129  .0028 -.0035  .0010
O8     .25 .3506 .1701      .0001  .0092  .0281      0      0 -.0007
O9   .3511 .4486 .2553      .0037  .0122  .0179 -.0008  .0009 -.0032
O10    .25 .2724 .7615      .0051  .0159  .0057      0      0 -.0011
O11  .4661 .4881 .7512      .0036  .0139  .0044 -.0018  .0009  .0012
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Dumortierite
Download hom/dumortierite.pdf
Alexander V D, Griffen D T, Martin T J
Download am/vol71/AM71_786.pdf
American Mineralogist 71 (1986) 786-794
Crystal chemistry of some Fe- and Ti-poor dumortierites
Sample: #11, USNM 141800, from Ambositra, Madagascar
_database_code_amcsd 0001025
11.802 20.222 4.695 90 90 90 Pmcn
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1    .75 .4057 .0873 .99  .0024  .0084  .0027      0      0  .0002
Si2  .5246 .3282 .5873 .98  .0052  .0042  .0033 -.0012  .0002  .0002
Al1    .75 .2498 .3973 .85  .0079  .0119  .0547      0      0 -.0005
Al2  .6102 .4725 .5580 .98  .0028  .0038  .0032 -.0005  .0001 -.0002
Al3  .4910 .4310 .0597 .97  .0024  .0034  .0029  .0000  .0000 -.0003
Al4  .3585 .2890 .0576 .99  .0048  .0059  .0065  .0011 -.0005 -.0016
B      .25 .4156 .2267      .0066  .0072  .0064      0      0  .0026
O1     .75 .4539 .3765      .0040  .0134  .0077      0      0 -.0020
O2     .75 .3259 .1494      .0150  .0159  .0113      0      0  .0042
O3   .6397 .4241 .8953      .0064  .0115  .0062  .0008  .0006  .0008
O4   .4362 .2825 .3994      .0065  .0107  .0077 -.0020 -.0015  .0003
O5   .5504 .3933 .3956      .0069  .0086  .0073 -.0007 -.0003 -.0005
O6   .4539 .3501 .8807       .010  .0103  .0073 -.0032  .0005 -.0008
O7   .6397 .2867 .6478      .0136  .0155  .0130  .0014 -.0025  .0012
O8     .25 .3502 .1623      .0078  .0081  .0116      0      0 -.0022
O9   .3511 .4480 .2540      .0059  .0127  .0101 -.0012  .0011 -.0020
O10    .25 .2723 .7614      .0082  .0154  .0072      0      0 -.0011
O11  .4661 .4881 .7503      .0067  .0099  .0054 -.0007  .0007 -.0002
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Dumortierite
Download hom/dumortierite.pdf
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
Download hom/dumortierite.pdf
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
Download hom/dumortierite.pdf
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
Download hom/dumortierite.pdf
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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Dumortierite
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Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R
 
European Journal of Mineralogy 17 (2005) 173-183
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure,
and infra-red spectroscopy
Sample: DUM1
Locality: Gfohl unit, Lower Austria
_database_code_amcsd 0007091
4.6900 11.7875 20.1823 90 90 90 Pnma
atom      x       y       z  occ   Uiso
AlM1  .6024     .75  .74985  .78  .0271
MgM1  .6024     .75  .74985  .09  .0271
TiM1  .6024     .75  .74985  .01  .0271
AlM2 .05807  .11044 .472510  .93 .00578
TiM2 .05807  .11044 .472510  .03 .00578
AlM3 .44028  .00893 .568913  .94 .00587
FeM3 .44028  .00893 .568913  .02 .00587
AlM4 .44231  .14142 .711001  .98 .00753
SiT1 .58715     .25  .40541  .85 .00717
AlT1 .58715     .25  .40541  .15 .00717
SiT2 .91289 -.02418 .671678 .995 .00710
AlT2 .91289 -.02418 .671678 .005 .00710
B     .2749     .25  .58386       .0088
O1    .8769     .25  .45419       .0102
O2    .3375     .25  .64938 .723  .0110
OH2   .3375     .25  .64938  .27  .0110
F2    .3375     .25  .64938 .007  .0110
O3   .39605  .13933  .42443      .00916
O4   .09935  .06414  .71730      .00947
O5   .10440 -.05002  .60651      .00905
O6   .61931  .04612  .64971      .01037
O7    .8507 -.13869  .71307 .723 .01500
OH7   .8507 -.13869  .71307  .27 .01500
F7    .8507 -.13869  .71307 .007 .01500
O8    .6511     .25  .32635       .0151
O9   .24556  .14885  .55201      .00975
O10   .7387     .25  .72778       .0112
O11  .74983  .03358  .51196      .00821
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Dumortierite
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Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R
 
European Journal of Mineralogy 17 (2005) 173-183
Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure,
and infra-red spectroscopy
Sample: DUM2
Locality: Gfohl unit, Lower Austria
_database_code_amcsd 0007092
4.6948 11.8037 20.2106 90 90 90 Pnma
atom      x       y       z  occ   Uiso
AlM1  .6045     .75  .74985  .74  .0277
MgM1  .6045     .75  .74985  .12  .0277
TiM1  .6045     .75  .74985  .01  .0277
AlM2 .05808  .11043 .472535  .94 .00568
TiM2 .05808  .11043 .472535  .01 .00568
FeM2 .05808  .11043 .472535  .01 .00568
AlM3 .44026  .00893 .568892  .93 .00550
TiM3 .44026  .00893 .568892  .03 .00550
AlM4 .44214  .14144 .710922  .98 .00741
SiT1 .58718     .25  .40559  .85 .00695
AlT1 .58718     .25  .40559  .15 .00695
SiT2 .91298 -.02388 .671550  .99 .00683
AlT2 .91298 -.02388 .671550  .01 .00683
B     .2749     .25  .58384       .0082
O1    .8767     .25  .45429       .0099
O2    .3365     .25  .64939 .714  .0108
OH2   .3365     .25  .64939 .283  .0108
F2    .3365     .25  .64939 .003  .0108
O3   .39593  .13930  .42450      .00874
O4   .09924  .06427  .71729      .00903
O5   .10440 -.04995  .60648      .00875
O6   .61918  .04632  .64962      .01006
O7    .8502 -.13825  .71292 .714  .0145
OH7   .8502 -.13825  .71292 .283  .0145
F7    .8502 -.13825  .71292 .003  .0145
O8    .6516     .25  .32667       .0146
O9   .24548  .14892  .55200      .00951
O10   .7385     .25  .72775       .0107
O11  .74984  .03342  .51193      .00764
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Dumortierite
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Moore P B, Araki T
 
Neues Jahrbuch fur Mineralogie, Abhandlungen 132 (1978) 231-241
Dumortierite, Si3B[Al6.75[]0.25O17.25(OH)0.75]: a detailed structure analysis
Locality: Saharina, Madagascar
_database_code_amcsd 0019939
11.828 20.243 4.7001 90 90 90 Pmcn
atom      x      y     z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
All     .75 .24995 .3953 .75 .00078 .00026 .04312       0       0  .00041
Al2  .61033 .47248 .5584     .00039 .00012 .00236 -.00001       0 -.00004
Al3  .49098 .43097  0602     .00051 .00014 .00247 -.00001  .00002 -.00002
Al4  .35848 .28895  0580     .00061 .00020 .00460  .00010 -.00009 -.00019
Si1     .75 .40559  0875     .00073 .00046 .00412       0       0 -.00002
Si2  .52444 .32817 .5877     .00120 .00030 .00456 -.00011  .00000  .00002
B       .25 .41617 .2256     .00113 .00034 .00298       0       0  .00002
O1      .75 .45385 .3744     .00076 .00042 .00490       0       0 -.00010
O2      .75 .32625 .1513 .75 .00212 .00050 .00802       0       0  .00076
OH2     .75 .32625 .1513 .25 .00212 .00050 .00802       0       0  .00076
O3   .63935 .42436 .8941     .00079 .00035 .00508  .00002  .00002  .00006
O4   .43599 .28250 .3985     .00117 .00027 .00544 -.00007 -.00006  .00010
O5   .55011 .39346 .3932     .00103 .00026 .00494 -.00006 -.00012  .00010
O6   .45414 .35017 .8792     .00121 .00029 .00557 -.00012 -.00003 -.00018
O7   .63922 .28679 .6502 .75 .00174 .00058 .00885  .00012 -.00077  .00044
OH7  .63922 .28679 .6502 .25 .00174 .00058 .00885  .00012 -.00077  .00044
O8      .25 .35087 .1643     .00089 .00032 .00824       0       0 -.00034
O9   .35086 .44798 .2543     .00104 .00031 .00474  .00000  .00025 -.00034
O10     .25 .27218 .7610     .00115 .00055 .00322       0       0 -.00017
O11  .46651 .48802   .75     .00086 .00027 .00219  .00000 -.00007 -.00002
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Total number of retrieved datasets: 11
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