American Mineralogist Crystal Structure Database

8 matching records for this search.

Sudoite
Download hom/sudoite.pdf
Eggleton R A, Bailey S W
Download am/vol52/AM52_673.pdf
American Mineralogist 52 (1967) 673-689
Structural aspects of dioctahedral chlorite
_database_code_amcsd 0000155
5.237 9.070 14.285 90 97.03 90 C2/m
atom     x     y     z occ
Si   .2312 .1667 .1909 .83
Al   .2312 .1667 .1909 .17
Al2      0 .3333     0
Mg3      0 .1667    .5 .77
Al3      0 .1667    .5 .23
Mg4      0    .5    .5 .77
Al4      0    .5    .5 .23
O1   .1900 .1667 .0720
O2   .1943     0 .2368
O3   .5066 .2335 .2332
OH1  .1900    .5 .0720
OH2  .1421     0 .4243
OH3  .1421 .3333 .4243
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Zirkelite
Download hom/zirkelite.pdf
Sinclair W, Eggleton R A
Download am/vol67/AM67_615.pdf
American Mineralogist 67 (1982) 615-620
Structure refinement of zirkelite from Kaiserstuhl, West Germany
_database_code_amcsd 0000869
12.431 7.224 11.483 90 100.33 90 C2/c
atom      x     y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .3752 .1245  .4971 .870  0.020  0.019  0.029  0.003  0.005  0.004
Th1   .3752 .1245  .4971 .130  0.020  0.019  0.029  0.003  0.005  0.004
Zr2   .1210 .2161 -.0239 .850  0.017  0.012  0.023  0.002  0.004  0.001
Ti2   .1210 .2161 -.0239 .150  0.017  0.012  0.023  0.002  0.004  0.001
Fe3     .25 .1252  .7450 .125  0.019  0.017  0.021  -.001  0.005      0
Ti3     .25 .1252  .7450 .375  0.019  0.017  0.021  -.001  0.005      0
Nb3     .25 .1252  .7450 .350  0.019  0.017  0.021  -.001  0.005      0
Zr3     .25 .1252  .7450 .150  0.019  0.017  0.021  -.001  0.005      0
Fe4   .4788 .0892  .2509 .330  0.056  0.062  0.009  -.003  -.002  -.004
Ti4   .4788 .0892  .2509 .170  0.056  0.062  0.009  -.003  -.002  -.004
Ti5       0 .1279    .25 .720  0.020  0.020  0.020      0  0.002      0
Nb5       0 .1279    .25 .280  0.020  0.020  0.020      0  0.002      0
O1    .3087 .1243  .2864       0.062  0.013  0.042  -.004  0.007  -.007
O2    .4693 .1373  .0891       0.028  0.024  0.051  0.002  0.004  0.002
O3    .2070 .0857  .5687       0.030  0.028  0.048  -.007  -.001  -.007
O4    .3957 .1665  .7151       0.035  0.041  0.036  -.010  0.005  -.000
O5    .7121 .1700  .5821       0.034  0.027  0.031  0.000  -.004  0.007
O6   -.0024 .1157  .4189       0.031  0.028  0.035  0.001  0.010  0.005
O7    .1086 .0653  .7917       0.026  0.043  0.041  -.014  -.001  0.003
Download AMC data (View Text File)
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Calzirtite
Download hom/calzirtite.pdf
Sinclair W, Eggleton R A, McLaughlin G M
Download am/vol71/AM71_815.pdf
American Mineralogist 71 (1986) 815-818
Structure refinement of calzirtite from Jacupiranga, Brazil
_database_code_amcsd 0001034
15.094 15.094 10.043 90 90 90 I4_1/acd
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Zr1  .01264 .01264    .25  .5  .0140  .0140  .0073 -.0064  .0011 -.0011
Ti2  .16809 .16809    .25 .75  .0065  .0065  .0060  .0001 -.0006  .0006
Fe2  .16809 .16809    .25  .1  .0065  .0065  .0060  .0001 -.0006  .0006
Nb2  .16809 .16809    .25 .15  .0065  .0065  .0060  .0001 -.0006  .0006
Ca3  .33281 .33281    .25      .0069  .0069  .0074  .0001 -.0007  .0007
Zr4  .16152 .01780 .48578      .0047  .0041  .0051  .0002  .0010 -.0001
O1      .25  .2130   .125       .008   .014   .011      0      0 -.0030
O2      .25  .4303   .125       .008   .008   .006      0      0  .0000
O3    .2433  .0776  .3309       .017   .009   .010 -.0060  .0010  .0000
O4    .1135  .0827  .1236       .014   .011   .011 -.0020  .0000  .0000
O5    .0655  .0795  .6193       .017   .008   .007 -.0020 -.0010  .0000
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Bementite
Download hom/bementite.pdf
Heinrich A R, Eggleton R A, Guggenheim S
Download am/vol79/AM79_91.pdf
American Mineralogist 79 (1994) 91-106
Structure and polytypism of bementite, a modulated layer silicate
_database_code_amcsd 0001635
14.838 17.584 14.700 90 95.54 90 P2_1/c
atom    x    y     z  occ Biso
Si1  .921 .467  .199        .6
Si2  .719 .451  .208        .6
Si3  .556 .564  .184        .6
Si4  .990 .626  .170        .6
Si5  .845 .744  .149        .6
Si6  .640 .730  .164        .6
Si7  .494 .843  .160        .6
Si8  .568 .999  .189        .6
Si9  .768 .017  .204        .6
Si10 .299 .807  .173        .6
Si11 .184 .663  .177        .6
Si12 .930 .906  .176        .6
Mn1     0    0     0  .95   .8
Mn2  .224 .025 -.008  .79   .8
Mn3  .434 .069  .023  .96   .8
Mn4  .643 .123  .022  .96   .8
Mn5  .854 .139  .028  .98   .8
Mn6  .081 .176  .045  .85   .8
Mn7  .284 .225  .072        .8
Mn8  .493 .255  .035  .88   .8
Mn9  .723 .293  .038        .8
Mn10 .941 .316  .042        .8
Mn11 .139 .355  .041        .8
Mn12 .359 .397  .002  .99   .8
Mn13 .580 .429  .021        .8
Mn14 .797 .450  .001        .8
Mn15    0    0    .5  .96   .8
O1    .82  .49   .21       1.2
O2    .99  .54   .21       1.2
O3    .96  .41   .28       1.2
O4    .64  .51   .23       1.2
O5    .46  .56   .23       1.2
O6    .59  .65   .20       1.2
O7    .75  .74   .19       1.2
O8    .90  .67   .20       1.2
O9    .90  .82   .19       1.2
O10   .86  .96   .22       1.2
O11   .67  .97   .22       1.2
O12   .49  .93   .19       1.2
O13   .58  .80   .20       1.2
O14   .41  .80   .19       1.2
O15   .24  .74   .21       1.2
O16   .08  .67   .21       1.2
O17   .77  .09   .28       1.2
O18   .73  .39   .29       1.2
O19   .92  .92   .07       1.2
O20   .69  .88   .00       1.2
O21   .49  .85   .05       1.2
O22   .28  .81   .06       1.2
O23   .05  .79   .01       1.2
O24   .83  .75   .04       1.2
O25   .63  .73   .05       1.2
O26   .41  .68   .03       1.2
O27   .18  .65   .07       1.2
O28   .98  .62   .06       1.2
O29   .77  .57   .04       1.2
O30   .54  .54   .08       1.2
O31   .33  .51   .07       1.2
O32   .12  .47   .08       1.2
O33   .92  .43   .09       1.2
O34   .70  .41   .11       1.2
O35   .48  .37   .08       1.2
O36   .28  .34   .11       1.2
O37   .06  .29   .13       1.2
O38   .84  .24   .08       1.2
O39   .63  .22   .10       1.2
O40   .41  .17   .09       1.2
O41   .21  .12   .10       1.2
O42   .98  .10   .07       1.2
O43   .76  .06   .10       1.2
O44   .56  .03   .09       1.2
O45   .35  .98   .07       1.2
O46   .13  .96   .06       1.2
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Parsettensite
Download hom/parsettensite.pdf
Eggleton R A, Guggenheim S
Download am/vol79/AM79_426.pdf
American Mineralogist 79 (1994) 426-437
The use of electron optical methods to determine the crystal structure of a
modulated phyllosilicate: Parsettensite
_database_code_amcsd 0001653
39.1 22.84 17.95 90 135.6 90 C2/m
atom     x     y      z  occ
Mn1  .5743     0  .0087
Mn2  .7186     0  .0133
Mn3      0     0      0
Mn4  .8578     0  .0016
Mn5     .5 .0697      0
Mn6  .6475 .0703  .0139
Mn7  .7880 .0700  .0075
Mn8  .9282 .0709      0
Mn9  .5744 .1428  .0079
Mn10 .7173 .1429  .0091
Mn11 .8571 .1430 -.0002
Mn12     0 .1436      0
Mn13    .5 .2135      0
Mn14 .6456 .2135  .0086
Mn15 .7849 .2150 -.0003
Mn16 .9280 .2143 -.0023
Si1  .4725 .0680  .2156 .896
Al1  .4725 .0680  .2156 .104
Si2  .5427 .1343  .2201 .896
Al2  .5427 .1343  .2201 .104
Si3  .6139 .0681  .2284 .896
Al3  .6139 .0681  .2284 .104
Si4  .4043 .1366  .2148 .896
Al4  .4043 .1366  .2148 .104
Si5  .4056 .2723  .2191 .896
Al5  .4056 .2723  .2191 .104
Si6  .4750 .3381  .2203 .896
Al6  .4750 .3381  .2203 .104
Si7  .5436 .2701  .2216 .896
Al7  .5436 .2701  .2216 .104
Si8  .5022 .4316  .3778 .896
Al8  .5022 .4316  .3778 .104
Si9  .6946 .1603  .3800 .896
Al9  .6946 .1603  .3800 .104
Si10 .6549 .2779  .3790 .896
Al10 .6549 .2779  .3790 .104
Si11 .3366 .0679  .2156 .896
Al11 .3366 .0679  .2156 .104
Si12 .2701 .1369  .2192 .896
Al12 .2701 .1369  .2192 .104
Si13 .2030 .0679  .2218 .896
Al13 .2030 .0679  .2218 .104
Si14 .3410 .3428  .2275 .896
Al14 .3410 .3428  .2275 .104
Si15 .2738 .2726  .2275 .896
Al15 .2738 .2726  .2275 .104
Si16 .4251 .4293  .3821 .896
Al16 .4251 .4293  .3821 .104
Si17 .2236 .1549  .3798 .896
Al17 .2236 .1549  .3798 .104
Si18 .2634 .2723  .3810 .896
Al18 .2634 .2723  .3810 .104
O1   .6544     0  .1106
O2   .7980     0  .1086
O3   .9374     0  .0990
O4   .0796     0  .0973
O5   .2215     0  .0931
O6   .3611     0  .0851
O7   .5061     0  .0963
O8   .7269 .0723  .1091
O9   .8670 .0718  .0994
O10  .0078 .0718  .0961
O11  .1515 .0712  .0971
O12  .2913 .0706  .0869
O13  .4325 .0710  .0868
O14  .5801 .0718  .1018
O15  .6544 .1429  .1074
O16  .7963 .1439  .1011
O17  .9366 .1433  .0960
O18  .0796 .1419  .0970
O19  .2219 .1413  .0919
O20  .3621 .1409  .0859
O21  .5056 .1416  .0926
O22  .7248 .2161  .1025
O23  .8638 .2165  .0917
O24  .0078 .2152  .0964
O25  .1518 .2130  .0999
O26  .2946 .2118  .0960
O27  .4344 .2134  .0910
O28  .5799 .2151  .0997
O29  .5191 .1046  .2571
O30  .5868 .0923  .2604
O31  .6624 .1081  .2927
O32  .4505 .0998  .2546
O33  .4196 .2041  .2563
O34  .5192 .2974  .2581
O35     .5 .3958  .2964
O36  .4529 .3058  .2588
O37  .5570 .2020  .2600
O38  .5980 .2976  .2960
O39  .5032    .5  .3542
O40  .4548 .4134  .3531
O41  .6603 .2175  .3403
O42  .4867     0  .2545
O43  .6341     0  .2647
O44  .6853 .3303  .3864
O45  .7245 .1397     .5
O46  .6816 .2668     .5
O47  .5500 .4124     .5
O48  .3155 .0993  .2570
O49  .2497 .1021  .2597
O50  .1997 .1007  .2966
O51  .3827 .1045  .2546
O52  .3195 .3109  .2675
O53  .3699 .4030  .2928
O54  .3837 .3008  .2605
O55  .2885 .2040  .2605
O56  .2639 .2949  .2963
O57  .4284    .5  .3868
O58  .2323 .2119  .3409
O59  .3512     0  .2544
O60  .2185     0  .2601
O61  .2366 .3248  .3847
K1   .0568 .2000  .4750 .313
K2   .1234     0  .4750 .313
K3   .2401     0  .4750 .313
K4   .1151 .3750  .4750 .313
K5   .9234 .2000  .4750 .313
K6   .8568     0  .4750 .313
K7   .7401     0  .4750 .313
K8   .8651 .3750  .4750 .313
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View JMOL 3-D Structure (permalink)
 
Stilpnomelane
Download hom/stilpnomelane.pdf
Guggenheim S, Eggleton R A
Download am/vol79/AM79_438.pdf
American Mineralogist 79 (1994) 438-442
Stilpnomelane and parsettensite: A distance least squares (DLS) study
Note: this is a theoretical structure
_database_code_amcsd 0001654
22.20 22.20 17.835 125.03 95.98 120.0 P-1
atom     x      y     z
Fe1  .3038  .3533 .5300
Fe2  .2171  .4317 .5217
Fe3  .1335  .2693 .5223
Fe4  .3803  .5102 .5144
Fe5  .0476  .3439 .5155
Fe6  .2153  .1784 .5180
Fe7  .4618  .4217 .5073
Fe8  .2964  .5921 .5125
Fe9  .1295  .5084 .5124
Fe10 .9679  .1768 .5164
Fe11 .0452  .0893 .5095
Fe12 .3828  .2617 .5153
Fe13 .5416  .3321 .4984
Fe14 .2087  .6698 .5035
Fe15 .9637  .4212 .5058
Fe16 .8772  .2541 .5061
Fe17 .7931  .0841 .5036
Fe18 .8732 -.0021 .4972
Fe19 .2947  .0882 .5075
Fe20 .3747  .0009 .5004
Fe21 .4616  .1711 .5043
Fe22 .3752  .7519 .5028
Fe23 .2905  .8323 .4992
Fe24 .5420  .0832 .5003
Si1  .2804  .2733 .2901
Si2  .1991  .3526 .2869
Si3  .0380  .2717 .2876
Si4  .9582  .1107 .2882
Si5  .0390  .0298 .2872
Si6  .2029  .1141 .2933
Si7  .4320  .3383 .2681
Si8  .2744  .5075 .2772
Si9  .9534  .3451 .2751
Si10 .7952  .0274 .2841
Si11 .9530  .8591 .2728
Si12 .2797  .0268 .2821
Si13 .5059  .4910 .2552
Si14 .4306  .5798 .2648
Si15 .1940  .5873 .2722
Si16 .0307  .5022 .2684
Si17 .7899  .2606 .2703
Si18 .7090  .0993 .2710
Si19 .7066  .8552 .2678
Si20 .7872  .7728 .2623
Si21 .0312  .7741 .2664
Si22 .1950  .8583 .2716
Si23 .4366  .0994 .2712
Si24 .5120  .2557 .2630
Si25 .8615  .5596 .1301
Si26 .7219  .5600 .1311
Si27 .5821  .4205 .1315
Si28 .5819  .2803 .1309
Si29 .7212  .2791 .1311
Si30 .8603  .4191 .1303
Si31 .5280  .8945 .1308
Si32 .3877  .8937 .1302
Si33 .2476  .7543 .1305
Si34 .2460  .6138 .1309
Si35 .3865  .6149 .1313
Si36 .5268  .7543 .1313
O1   .1801  .2865 .4307
O2   .1723  .5253 .4153
O3   .1683  .7695 .4023
O4   .1737  .0295 .4142
O5   .2562  .4452 .4209
O6   .2511  .6855 .4055
O7   .2526  .9391 .4045
O8   .2607  .2036 .4273
O9   .3383  .3627 .4241
O10  .3346  .6046 .4107
O11  .3349  .8538 .4056
O12  .3393  .1123 .4156
O13  .4188  .2730 .4115
O14  .4149  .5193 .4087
O15  .4160  .7686 .4046
O16  .4199  .0228 .4077
O17  .4963  .4307 .4015
O18  .4945  .6794 .3978
O19  .5024  .9361 .4048
O20  .5013  .1847 .4037
O21  .5791  .3430 .3951
O22  .5732  .5889 .3879
O23  .5821  .8500 .4016
O24  .5854  .1016 .4045
O25  .6673  .2635 .3991
O26  .6583  .5019 .3836
O27  .6624  .7626 .3932
O28  .6708  .0213 .4071
O29  .7459  .4235 .3895
O30  .7440  .6735 .3817
O31  .7507  .9349 .4005
O32  .7529  .1840 .4038
O33  .8387  .3502 .4038
O34  .8292  .5908 .3864
O35  .8333  .8500 .3950
O36  .8447  .1116 .4178
O37  .9233  .2738 .4125
O38  .9119  .5086 .3899
O39  .9098  .7599 .3850
O40  .9231  .0261 .4108
O41  .0052  .4375 .4087
O42  .0000  .6807 .3947
O43  .0057  .9416 .4064
O44  .0109  .1986 .4221
O45  .0931  .3635 .4215
O46  .0843  .5998 .4013
O47  .0845  .8529 .3994
O48  .0933  .1160 .4211
O49  .2221  .1652 .2497
O50  .2224  .2847 .2468
O51  .1010  .2826 .2454
O52  .9801  .1631 .2461
O53  .9825  .0437 .2459
O54  .1041  .0438 .2484
O55  .3366  .2757 .2378
O56  .2184  .4012 .2405
O57  .9791  .2800 .2396
O58  .8596  .0402 .2444
O59  .9794  .9180 .2382
O60  .2246  .0444 .2462
O61  .4506  .2656 .2240
O62  .4472  .3860 .2210
O63  .4505  .5083 .2190
O64  .3340  .5130 .2299
O65  .2133  .5158 .2339
O66  .0955  .5187 .2293
O67  .9789  .3957 .2311
O68  .8550  .2722 .2316
O69  .7323  .1525 .2297
O70  .7398  .0396 .2371
O71  .7369  .9153 .2348
O72  .7298  .7871 .2239
O73  .8542  .7927 .2268
O74  .9784  .7933 .2288
O75  .0964  .7883 .2280
O76  .2166  .9163 .2361
O77  .3399  .0380 .2357
O78  .4575  .1496 .2265
O79  .5613  .2572 .2012
O80  .5576  .4843 .1969
O81  .4368  .6137 .2033
O82  .2105  .6185 .2080
O83  .9605  .4907 .2054
O84  .7324  .2618 .2071
O85  .6077  .0133 .2058
O86  .6055  .7811 .2033
O87  .7300  .6563 .2005
O88  .9616  .6575 .2044
O89  .2115  .7845 .2070
O90  .4405  .0130 .2062
O91  .8454  .4906 .1493
O92  .8134  .5970 .1667
O93  .6728  .4951 .1548
O94  .5846  .3685 .1677
O95  .6718  .3164 .1519
O96  .8124  .3669 .1665
O97  .5555  .8551 .1674
O98  .4544  .8839 .1501
O99  .3266  .8546 .1665
O100 .2782  .7082 .1495
O101 .3249  .6255 .1671
O102 .4546  .7107 .1531
O103 .8241  .4906 .0000
O104 .6683  .4881 .0000
O105 .5125  .3321 .0000
O106 .5102  .1776 .0000
O107 .6673  .1761 .0000
O108 .8230  .3314 .0000
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ScAlO3
 
Sinclair W, Eggleton R A, Ringwood A E
Download zk/vol149/ZK149_307.pdf
Zeitschrift fur Kristallographie 149 (1979) 307-314
Crystal synthesis and structure refinement of high-pressure ScAlO3 perovskite
_database_code_amcsd 0010808
4.9355 5.2313 7.2007 90 90 90 Pbnm
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Sc   .9793 .0701   .25  .35  .0029  .0029  .0022 -.00025      0      0
Al       0    .5     0  .29  .0022  .0028  .0018 -.00003 .00009 .00009
O1   .1196 .4551   .25  .34  .0034  .0036  .0014  -.0009      0      0
O2   .6906 .3061 .0611  .37  .0029  .0032  .0023  -.0004  .0003 -.0004
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Ganophyllite
Download hom/ganophyllite.pdf
Eggleton R A, Guggenheim S
Download mm/vol50/MM50_307.pdf
Mineralogical Magazine 50 (1986) 307-315
A re-examination of the structure of ganophyllite
Locality: Harstig mine, Pajsberg, Sweden
_database_code_amcsd 0019465
5.533 13.565 25.09 90 94. 90 A2/a
atom     x     y      z occ Biso
K     .273  .349  .0574 .27  4.5
Mn1  .9937 .0620 .23714      .74
Mn2  .4967 .1868 .24463      .96
Si1  .7993 .4463  .1513      .64
Si2   .749  .218  .1355 .23   .3
Si3   .816 .2183  .1388 .80  1.2
Si4   .285 .1048  .1285 .53  1.0
Si5   .336  .108  .1298 .18   .3
Si6   .987 .0676  .0640 .32   .4
Si7   .557 .0709  .0629 .30   .7
O1    .518  .176  .1168 .66  1.8
O2    .610  .178   .102 .43  2.0
O4    .062  .171  .1147 .71  2.2
O3    .963  .167   .102 .40  2.3
O5    .814 .3342  .1255      1.6
O6    .033 .5069  .1293      1.5
O7    .268  .030  .0711 .40   .9
O8    .293  .015   .090 .61  1.4
O9    .317 .0674  .1926      1.5
O10   .820 .1960  .1998      1.2
O11   .823 .4411  .2168       .9
O12   .609  .089      0 .13  1.0
O13   .891  .091   .003 .13  1.0
OH14  .324 .3207  .2122      1.1
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Total number of retrieved datasets: 8
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