American Mineralogist Crystal Structure Database

6 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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Alexander V D
Download am/vol74/AM74_610.pdf
American Mineralogist 74 (1989) 610-619
Iron distribution in staurolite at room and low temperatures
sample at room temperature
_database_code_amcsd 0001245
7.865 16.580 5.668 90 90.38 90 C2/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)
Fe   .3897     0 .2471 .535       0.0150 0.0065 0.0164      0 -.0003      0
Mg   .3897     0 .2471 .233       0.0150 0.0065 0.0164      0 -.0003      0
Zn   .3897     0 .2471 .163       0.0150 0.0065 0.0164      0 -.0003      0
Ti   .3897     0 .2471 .022       0.0150 0.0065 0.0164      0 -.0003      0
Al   .3897     0 .2471 .018       0.0150 0.0065 0.0164      0 -.0003      0
Si   .1342 .1662 .2482 .902       0.0040 0.0063 0.0040  .0000  .0000 -.0001
Al   .1342 .1662 .2482 .098       0.0040 0.0063 0.0040  .0000  .0000 -.0001
Al1A    .5 .1751     0 .950       0.0029 0.0048 0.0009      0 -.0002      0
Al1B    .5 .1749    .5 .960       0.0038 0.0058 0.0018      0  .0006      0
Al2  .2628 .4104 .2518 .970       0.0039 0.0060 0.0052 -.0002 -.0001  .0001
Al3A     0     0     0 .572       0.0078 0.0086 0.0088      0  .0026      0
Fe3A     0     0     0 .048       0.0078 0.0086 0.0088      0  .0026      0
Al3B     0     0    .5 .298       0.0052 0.0065 0.0081      0 -.0031      0
Fe3B     0     0    .5 .023       0.0052 0.0065 0.0081      0 -.0031      0
Mn1     .5     0     0 .025 .0019
Fe1     .5     0     0 .015 .0019
Mn2     .5     0    .5 .015 .0175
Fe2     .5     0    .5 .005 .0175
O1A  .2328     0 .9628            0.0126 0.0080 0.0075      0  .0016      0
OH1B .2358     0 .5339            0.0153 0.0089 0.0083      0  .0002      0
O2A  .2558 .1614 .0152            0.0071 0.0087 0.0061  .0003 -.0002 -.0005
O2B  .2545 .1610 .4835            0.0079 0.0088 0.0056 -.0003  .0004  .0009
O3   .0015 .0889 .2447            0.0063 0.0100 0.0119  .0003  .0000 -.0004
O4   .0218 .2493 .2493            0.0072 0.0083 0.0059  .0007 -.0001  .0003
O5   .5270 .0996 .2495            0.0049 0.0090 0.0046 -.0011 -.0001  .0000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Staurolite
Download hom/staurolite.pdf
Alexander V D
Download am/vol74/AM74_610.pdf
American Mineralogist 74 (1989) 610-619
Iron distribution in staurolite at room and low temperatures
sample at low temperature (liquid N2)
_database_code_amcsd 0001246
7.871 16.587 5.661 90 90.39 90 C2/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)
Al   .3901     0 .2472 .018       0.0129 0.0048 0.0137      0 -.0003      0
Ti   .3901     0 .2472 .022       0.0129 0.0048 0.0137      0 -.0003      0
Zn   .3901     0 .2472 .163       0.0129 0.0048 0.0137      0 -.0003      0
Mg   .3901     0 .2472 .233       0.0129 0.0048 0.0137      0 -.0003      0
Fe   .3901     0 .2472 .535       0.0129 0.0048 0.0137      0 -.0003      0
Si   .1342 .1662 .2482 .902       0.0031 0.0056 0.0031 -.0001  .0000  .0000
Al   .1342 .1662 .2482 .098       0.0031 0.0056 0.0031 -.0001  .0000  .0000
Al1A    .5 .1751     0 .950       0.0017 0.0035 0.0003      0  .0000      0
Al1B    .5 .1749    .5 .960       0.0028 0.0044 0.0011      0  .0003      0
Al2  .2627 .4104 .2518 .970       0.0027 0.0048 0.0037  .0000  .0000  .0001
Al3A     0     0     0 .572       0.0079 0.0067 0.0079      0  .0023      0
Fe3A     0     0     0 .048       0.0079 0.0067 0.0079      0  .0023      0
Al3B     0     0    .5 .298       0.0043 0.0046 0.0067      0 -.0021      0
Fe3B     0     0    .5 .023       0.0043 0.0046 0.0067      0 -.0021      0
Mn1     .5     0     0 .025 .0010
Fe1     .5     0     0 .015 .0010
Mn2     .5     0    .5 .015 .0176
Fe2     .5     0    .5 .005 .0176
O1A  .2332     0 .9628            0.0107 0.0069 0.0057      0  .0017      0
OH1B .2361     0 .5339            0.0130 0.0078 0.0064      0  .0002      0
O2A  .2559 .1614 .0150            0.0051 0.0074 0.0053  .0005 -.0003  .0000
O2B  .2547 .1609 .4837            0.0060 0.0068 0.0048 -.0002  .0005  .0004
O3   .0016 .0889 .2446            0.0057 0.0087 0.0097  .0004 -.0004  .0000
O4   .0217 .2492 .2492            0.0056 0.0069 0.0050  .0005 -.0002  .0002
O5   .5270 .0996 .2496            0.0040 0.0080 0.0033 -.0014 -.0004 -.0003
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 6
View in amc, download in amc

Return to AMCSD Home Page