American Mineralogist Crystal Structure Database

22 matching records for this search.

Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 1 atm isotropic refinement
_database_code_amcsd 0000816
7.1356 12.3692 7.1736 90 120.34 90 C2/c
atom      x      y      z Biso
Si1  .14033 .10833 .07227 0.41
Si2  .50682 .15799 .54077 0.40
O1        0      0      0 0.71
O2       .5  .1163    .75 0.68
O3    .2660  .1234  .9401 0.79
O4    .3114  .1038  .3282 0.81
O5    .0172  .2117  .4782 0.75
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 1 atm anisotropic refinement
_database_code_amcsd 0000817
7.1356 12.3692 7.1736 90 120.34 90 C2/c
atom      x      y      z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .14035 .10833 .07230 .00300 .00065  .0028 -.00028 .00152 -.00019
Si2  .50674 .15796 .54072 .00329 .00074  .0024 -.00011 .00160 -.00008
O1        0      0      0  .0050 .00064  .0056 -.00060 .00220 -.00030
O2       .5 .11634    .75  .0066 .00121  .0035       0 .00340       0
O3    .2661 .12324  .9401  .0050 .00160  .0055 -.00048 .00370 -.00024
O4    .3114 .10378  .3280  .0060 .00152  .0031 -.00063 .00110 -.00046
O5    .0175 .21177  .4784  .0053 .00077  .0068 -.00001 .00330  .00015
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 21.8 kbar
_database_code_amcsd 0000818
7.0692 12.306 7.1462 90 120.53 90  C2/c
atom     x     y     z  Biso
Si1  .1385 .1089 .0714  0.42
Si2  .5078 .1578 .5426  0.41
O1       0     0     0  0.90
O2      .5 .1124   .75  0.64
O3   .2605 .1259 .9346  0.66
O4   .3144 .1020 .3266  0.76
O5   .0217 .2123 .4745  0.82
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 31.5 kbar
_database_code_amcsd 0000819
7.0407 12.279 7.1342 90 120.610 90 C2/c
atom     x     y     z  Biso
Si1  .1378 .1093 .0711  0.44
Si2  .5081 .1576 .5434  0.43
O1       0     0     0  0.91
O2      .5 .1107   .75  0.69
O3   .2576 .1272 .9320  0.67
O4   .3157 .1020 .3263  0.76
O5   .0234 .2126 .4728  0.82
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Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 38.7 kbar
_database_code_amcsd 0000820
7.0213 12.260 7.1252 90 120.66 90 C2/c
atom     x     y     z  Biso
Si1  .1374 .1095 .0707  0.40
Si2  .5085 .1572 .5439  0.38
O1       0     0     0  0.90
O2      .5 .1095   .75  0.55
O3   .2558 .1279 .9302  0.62
O4   .3167 .1006 .3257  0.73
O5   .0246 .2135 .4724  0.79
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Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 46.0 kbar
_database_code_amcsd 0000821
7.0042 12.246 7.1177 90 120.7 90 C2/c
atom     x     y     z  Biso
Si1  .1370 .1098 .0704  0.38
Si2  .5085 .1576 .5441  0.35
O1       0     0     0  1.03
O2      .5 .1091   .75  0.64
O3   .2543 .1291 .9284  0.57
O4   .3179 .1006 .3251  0.74
O5   .0264 .2129 .4719  0.80
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Coesite
Download hom/coesite.pdf
Levien L, Prewitt C T
Download am/vol66/AM66_324.pdf
American Mineralogist 66 (1981) 324-333
High-pressure crystal structure and compressibility of coesite
P = 51.9 kbar
_database_code_amcsd 0000822
6.9897 12.233 7.1112 90 120.74 90 C2/c
atom     x     y     z  Biso
Si1  .1369 .1101 .0704  0.41
Si2  .5087 .1574 .5446  0.38
O1       0     0     0  0.94
O2      .5 .1085   .75  0.55
O3   .2540 .1298 .9282  0.62
O4   .3187 .1005 .3251  0.74
O5   .0275 .2126 .4714  0.80
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Coesite
Download hom/coesite.pdf
Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O
Download am/vol92/AM92_57.pdf
American Mineralogist 92 (2007) 57-63
First in situ X-ray diffraction identification of coesite and retrograde quartz on a glass
thin section of an ultrahigh-pressure metamorphic rock and their crystal structure details
Locality: Yangkou meta-igneous complex in the middle part of the Sulu UHP terrain, eastern China
Note: Sample is on a thin section
_database_code_amcsd 0004264
7.140 12.371 7.175 90 120.34 90 C2/c
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .1401 .1083 .0723 .014   .015   .012   .015  -.001   .008  -.001
Si2  .5068 .1581 .5407 .015   .017   .013   .015  -.001   .009   .000
O1   .0000 .0000 .0000 .016   .016   .013   .017  -.008   .008  -.006
O2   .5000 .1162 .7500 .015   .020   .015   .012   .000   .010   .000
O3   .2669 .1236 .9406 .020   .022   .024   .018  -.006   .013  -.005
O4   .3104 .1042 .3275 .020   .023   .021   .016  -.008   .009  -.005
O5   .0167 .2120 .4780 .017   .021   .014   .021  -.001   .014   .001
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1air, in air, P = 0.0001 GPa
_database_code_amcsd 0008746
7.1366 12.3723 7.1749 90 120.330 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .14023 .10836 .07236 .531 .00373 .00069 .00380 -.00024 .00182 -.00013
Si2  .50676 .15804 .54067 .548 .00418 .00080 .00357 -.00009 .00210 -.00003
O1        0      0      0 .840  .0058 .00090  .0069 -.00108  .0031 -.00067
O2       .5 .11637    .75 .784  .0067 .00143  .0039       0  .0034       0
O3    .2663 .12316  .9402 .868  .0056 .00157  .0066 -.00057  .0042 -.00010
O4    .3110 .10382  .3280 .923  .0066 .00152  .0036 -.00068  .0013 -.00045
O5    .0173 .21194  .4789 .840  .0058 .00074  .0076 -.00004  .0033  .00015
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P0, in cell, P = 0.0001 GPa
_database_code_amcsd 0008747
7.1366 12.3723 7.1749 90 120.330 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .14051 .10831 .07236  .40 .00290 .00056  .0030 -.00038 .00171 -.00025
Si2  .50679 .15828 .54093 .443 .00332 .00095  .0021 -.00012 .00174 -.00002
O1        0      0      0  .72  .0043  .0012  .0043  -.0009  .0017  -.0008
O2       .5  .1165    .75  .58  .0048  .0007  .0044       0  .0027       0
O3    .2662  .1233  .9411  .73  .0051  .0014  .0050  -.0003  .0034  -.0003
O4    .3110  .1039  .3275  .87  .0065  .0016  .0026  -.0005  .0009 -.00036
O5    .0175  .2124  .4787  .71  .0051  .0004  .0072  -.0002  .0030  -.0002
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P8, P = 2.248 GPa
_database_code_amcsd 0008748
7.0666 12.3049 7.1462 90 120.54 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13863 .10913 .07124  .48 .00331 .00095  .0025 -.00043 .00152 -.00029
Si2  .50784 .15750 .54297  .48 .00358 .00098  .0026  .00004 .00182 -.00002
O1        0      0      0  .81  .0058  .0005  .0063  -.0014  .0016  -.0009
O2       .5  .1128    .75  .69  .0053  .0011  .0038       0  .0022       0
O3    .2599  .1266  .9349  .71  .0048  .0009  .0063  -.0007  .0032  -.0005
O4    .3142  .1023  .3265  .78  .0059  .0011  .0036  -.0005  .0011  -.0010
O5    .0226  .2117  .4749  .70  .0053  .0004  .0070   .0000  .0030   .0002
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X4P4, P = 2.84 GPa
_database_code_amcsd 0008749
7.0500 12.2907 7.1386 90 120.587 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13849 .10936 .07116  .39  .0032 .00061  .0028 -.00029  .0020 -.00022
Si2  .50819 .15731 .54319  .40  .0035 .00072  .0026 -.00002  .0022 -.00004
O1        0      0      0  .68   .005  .0007  .0052  -.0007  .0019  -.0004
O2       .5  .1117    .75  .71   .007  .0010  .0046       0  .0044       0
O3    .2575 .12731  .9322  .61  .0015  .0017  .0042 -.00027  .0016  -.0001
O4    .3158 .10222  .3264  .73  .0048  .0013  .0031 -.00044  .0010  -.0006
O5    .0236 .21242  .4743  .64  .0050  .0006  .0066 -.00019  .0039  .00036
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P3, P = 3.763 GPa
_database_code_amcsd 0008750
7.0203 12.2615 7.1260 90 120.670 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13760 .10979 .07067  .46 .00354 .00082  .0027 -.00025 .00177 -.00014
Si2  .50850 .15724 .54405  .42 .00351 .00060  .0028 -.00022 .00171 -.00011
O1        0      0      0  .77  .0054  .0007  .0061  -.0009  .0021       0
O2       .5  .1108    .75  .61  .0056  .0012  .0032       0  .0033       0
O3    .2558 .12881  .9309  .71  .0052  .0011  .0050   .0000  .0030   .0001
O4    .3174  .1011  .3262  .73  .0060  .0009  .0038  -.0003  .0011  -.0007
O5    .0253  .2120  .4721  .67  .0049  .0004  .0072  -.0003  .0032   .0001
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X4P2, P = 4.45 GPa
_database_code_amcsd 0008751
7.0035 12.2462 7.1178 90 120.708 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13737 .11000 .07059  .39  .0033 .00064  .0026 -.00024  .0018 -.00019
Si2  .50834 .15720 .54402  .42  .0042 .00079  .0019  .00009  .0021  .00001
O1        0      0      0  .70   .007  .0006  .0059  -.0006  .0037  -.0001
O2       .5  .1098    .75  .53   .005  .0012  .0022       0  .0022       0
O3    .2538 .12928  .9293  .70  .0042  .0015  .0054  -.0003  .0033  -.0001
O4    .3180 .10101  .3254  .73  .0046  .0015  .0032 -.00029  .0011  -.0003
O5    .0259 .21265  .4715  .68  .0054  .0008  .0063  .00009  .0037   .0002
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X4P3, P = 5.01 GPa
_database_code_amcsd 0008752
6.9862 12.2311 7.1101 90 120.746 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13687 .11026 .07002 .370  .0029 .00064  .0023 -.00025  .0015 -.00027
Si2  .50836 .15706 .54447 .405  .0037 .00078  .0020 -.00005  .0018 -.00008
O1        0      0      0  .67   .007  .0003  .0062  -.0002  .0040   .0001
O2       .5  .1093    .75  .56   .005  .0013  .0026       0  .0031       0
O3    .2523 .13006  .9278  .72  .0068 .00115  .0052 -.00051  .0045  -.0002
O4    .3189 .10058  .3252  .81  .0069 .00136  .0036  -.0003  .0022 -.00043
O5    .0267 .21270  .4707  .68  .0047  .0009  .0068  .00007  .0040  .00042
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View JMOL 3-D Structure (permalink)
 
Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P12, P = 6.16 GPa
_database_code_amcsd 0008753
6.9520 12.1986 7.0942 90 120.820 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13588 .11051 .06934  .53 .00362 .00088  .0038 -.00021 .00195 -.00026
Si2  .50905 .15687 .54548  .52 .00402 .00092  .0032 -.00010 .00193 -.00008
O1        0      0      0  .88  .0065  .0009  .0076  -.0008  .0034  -.0004
O2       .5  .1074    .75  .78  .0072  .0014  .0035       0  .0030       0
O3    .2499  .1314  .9245  .75  .0049  .0015  .0054  -.0004  .0033  -.0002
O4    .3205  .1006  .3247  .86  .0068  .0014  .0041  -.0004  .0020  -.0004
O5    .0291  .2117  .4706  .73  .0059  .0009  .0065  -.0002  .0038   .0000
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P5, P = 6.509 GPa
_database_code_amcsd 0008754
6.9450 12.1909 7.0912 90 120.850 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13572 .11079 .06913  .43 .00347 .00076  .0028 -.00023 .00195 -.00018
Si2  .50923 .15689 .54560  .44 .00328 .00084  .0028 -.00022 .00178 -.00019
O1        0      0      0  .74  .0069  .0004  .0055  -.0007  .0022  -.0001
O2       .5  .1076    .75  .66  .0064  .0013  .0030       0  .0031       0
O3    .2495  .1314  .9242  .70  .0048  .0016  .0042  -.0002  .0032   .0001
O4    .3207  .1005  .3253  .76  .0061  .0011  .0037   .0001  .0015  -.0004
O5    .0298  .2121  .4693  .66  .0050  .0006  .0061  -.0004  .0030  -.0002
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Coesite
Download hom/coesite.pdf
Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X1P7, P = 7.814 GPa
_database_code_amcsd 0008755
6.9126 12.1610 7.0746 90 120.910 90 C2/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .13505 .11103 .06876  .45 .00356 .00074  .0031 -.00027 .00195 -.00027
Si2  .50932 .15664 .54624  .43 .00366 .00064  .0031 -.00015 .00205 -.00018
O1        0      0      0  .83  .0059  .0014  .0046  -.0008  .0019  -.0003
O2       .5  .1062    .75  .59  .0061  .0006  .0050       0  .0038       0
O3    .2470  .1328  .9217  .74  .0047  .0021  .0034   .0001  .0031   .0000
O4    .3218  .1000  .3239  .77  .0062  .0015  .0028  -.0002  .0015  -.0005
O5    .0318  .2125  .4692  .71  .0055  .0010  .0058  -.0001  .0035  -.0001
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Coesite
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Angel R J, Shaw C S J, Gibbs G V
 
Physics and Chemistry of Minerals 30 (2003) 167-176
Compression mechanisms of coesite
Sample: X4P1, P = 8.68 GPa
_database_code_amcsd 0008756
6.8886 12.1377 7.0625 90 120.962 90 C2/c
atom     x      y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .1347 .11137 .06850  .37  .0035 .00054  .0026 -.00010  .0019 -.00012
Si2  .5092 .15646 .54632  .42  .0046 .00065  .0025 -.00006  .0024 -.00005
O1       0      0      0  .87   .013  .0000  .0062  -.0001  .0057   .0002
O2      .5  .1047    .75  .66   .010  .0007  .0040       0  .0054       0
O3   .2450  .1333  .9198  .64  .0037  .0017  .0037  -.0001  .0026  -.0002
O4   .3228 .09946  .3239  .75  .0066  .0011  .0046  -.0004  .0028  -.0005
O5   .0332 .21241  .4689  .63  .0057  .0006  .0066   .0001  .0044   .0001
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Coesite
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Araki T, Zoltai T
Download zk/vol129/ZK129_381.pdf
Zeitschrift fur Kristallographie 129 (1969) 381-387
Refinement of a coesite structure
Locality: synthetic
_database_code_amcsd 0010692
7.173 12.328 7.175 90 120.00 90 C2/c
atom     x     y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Si1  .3590 .3916 .4274 .00187 .00033 .00125 -.00013 .00050 -.00038
Si2  .4934 .1577 .4596 .00238 .00048 .00276  .00042 .00158 -.00002
O1       0     0     0 .00132 .00074 .00523 -.00011 .00060  .00088
O2      .5 .1172   .25 .00409 .00108 .00574       0 .00083       0
O3   .2670 .1238 .4418 .00434 .00128 .00402  .00079 .00110 -.00009
O4   .1891 .3964 .1755 .00680 .00170 .00204 -.00055 .00153 -.00029
O5   .4807 .2882 .0212 .00460 .00059 .01109 -.00008 .00331 -.00024
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Coesite
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Kirfe A, Will G, Arndt J
Download zk/vol149/ZK149_315.pdf
Zeitschrift fur Kristallographie 149 (1979) 315-326
A new phase of coesite SiO2
Note: this is a synthetic, twinned crystal of a typical coesite,
it is not really a new phase
_database_code_amcsd 0010809
7.148 12.334 7.112 90 120.30 90 P2_1/a
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .3224 .3585  .3910  .0066  .0035  .0070 -.0009  .0032 -.0014
Si2  .6864 .3582  .1106  .0049  .0016  .0066 -.0001  .0040  .0009
Si3  .7874 .4086  .7432  .0096  .0042  .0105  .0004  .0079  .0006
Si4  .2190 .4074  .7562  .0027  .0014  .0039  .0004  .0064  .0001
O1   .2498 .2515  .2486  .0131  .0030  .0108 -.0015  .0063 -.0028
O2   .0039 .3662  .7520  .0066  .0069  .0124 -.0025  .0061 -.0023
O3   .2351 .3548  .5609  .0116  .0115  .0063 -.0016  .0058 -.0053
O4   .5791 .3726  .5144  .0067  .0090  .0127 -.0024  .0058 -.0045
O5   .7865 .4648  .2681  .0096  .0020  .0082  .0000  .0052 -.0011
O6   .2083 .4581  .2334  .0164  .0026  .0155  .0015  .0063  .0000
O7   .4275 .3738 -.0184  .0066  .0114  .0092  .0000  .0014  .0026
O8   .7700 .3530 -.0597  .0188  .0077  .0179  .0016  .0153  .0010
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Coesite
Download hom/coesite.pdf
Sasaki S, Chen H K, Prewitt C T, Nakajima Y
Download zk/vol164/ZK164_67.pdf
Zeitschrift fur Kristallographie 164 (1983) 67-77
Re-examination of "P2_1/a coesite"
Locality: synthetic
Note: z(O7), z(O8) corrected
Note: This is not the structure of coesite, it is a model for a twin
_database_code_amcsd 0010855
7.137 12.370 7.174 90 120.33 90 C2/c
atom      x     y      z  occ Biso
Si1   .3256 .3575  .3905   .5  .05
Si2   .6928 .3595  .1100   .5  .80
Si3   .7804 .4037  .7376   .5  .44
Si4   .2124 .4124  .7505   .5  .39
O1    .2312 .2501  .2533   .5  .09
O2   -.0148 .3660  .7520   .5  .36
O3    .2385 .3535  .5627   .5 -.17
O4    .5876 .3740  .5209   .5  .56
O5    .7923 .4621  .2632   .5 -.21
O6    .2238 .4610  .2239   .5 2.00
O7    .4362 .3734 -.0123   .5  .79
O8    .7818 .3541 -.0567   .5 2.52
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Total number of retrieved datasets: 22
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