|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Levien L, Prewitt C T |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Ikuta D, Kawame N, Banno S, Hirajima T, Ito K, Rakovan J F, Downs R T, Tamada O |
 |
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 |
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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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
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 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
Coesite |
 |
Araki T, Zoltai T |
 |
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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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Coesite |
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Kirfe A, Will G, Arndt J |
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Zeitschrift fur Kristallographie 149 (1979) 315-326 |
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A new phase of coesite SiO2 |
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Note: this is a synthetic, twinned crystal of a typical coesite, |
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it is not really a new phase |
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_database_code_amcsd 0010809 |
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7.148 12.334 7.112 90 120.30 90 P2_1/a |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .3224 .3585 .3910 .0066 .0035 .0070 -.0009 .0032 -.0014 |
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Si2 .6864 .3582 .1106 .0049 .0016 .0066 -.0001 .0040 .0009 |
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Si3 .7874 .4086 .7432 .0096 .0042 .0105 .0004 .0079 .0006 |
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Si4 .2190 .4074 .7562 .0027 .0014 .0039 .0004 .0064 .0001 |
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O1 .2498 .2515 .2486 .0131 .0030 .0108 -.0015 .0063 -.0028 |
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O2 .0039 .3662 .7520 .0066 .0069 .0124 -.0025 .0061 -.0023 |
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O3 .2351 .3548 .5609 .0116 .0115 .0063 -.0016 .0058 -.0053 |
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O4 .5791 .3726 .5144 .0067 .0090 .0127 -.0024 .0058 -.0045 |
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O5 .7865 .4648 .2681 .0096 .0020 .0082 .0000 .0052 -.0011 |
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O6 .2083 .4581 .2334 .0164 .0026 .0155 .0015 .0063 .0000 |
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O7 .4275 .3738 -.0184 .0066 .0114 .0092 .0000 .0014 .0026 |
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O8 .7700 .3530 -.0597 .0188 .0077 .0179 .0016 .0153 .0010 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Coesite |
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Sasaki S, Chen H K, Prewitt C T, Nakajima Y |
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Zeitschrift fur Kristallographie 164 (1983) 67-77 |
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Re-examination of "P2_1/a coesite" |
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Locality: synthetic |
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Note: z(O7), z(O8) corrected |
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Note: This is not the structure of coesite, it is a model for a twin |
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_database_code_amcsd 0010855 |
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7.137 12.370 7.174 90 120.33 90 C2/c |
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atom x y z occ Biso |
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Si1 .3256 .3575 .3905 .5 .05 |
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Si2 .6928 .3595 .1100 .5 .80 |
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Si3 .7804 .4037 .7376 .5 .44 |
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Si4 .2124 .4124 .7505 .5 .39 |
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O1 .2312 .2501 .2533 .5 .09 |
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O2 -.0148 .3660 .7520 .5 .36 |
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O3 .2385 .3535 .5627 .5 -.17 |
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O4 .5876 .3740 .5209 .5 .56 |
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O5 .7923 .4621 .2632 .5 -.21 |
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O6 .2238 .4610 .2239 .5 2.00 |
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O7 .4362 .3734 -.0123 .5 .79 |
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O8 .7818 .3541 -.0567 .5 2.52 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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