American Mineralogist Crystal Structure Database

17 matching records for this search.

Kyanite
Download hom/kyanite.pdf
Winter J K, Ghose S
Download am/vol64/AM64_573.pdf
American Mineralogist 64 (1979) 573-586
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs
T = 25 deg C
_database_code_amcsd 0000733
7.1262 7.8520 5.5724 89.99 101.11 106.03 P-1
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1  .3254 .7040 .4582 0.0013 0.0020 0.0043 0.0007 -.0005 0.0001
Al2  .2974 .6989 .9505 0.0019 0.0016 0.0045 0.0009 -.0005 -.0003
Al3  .0998 .3862 .6403 0.0017 0.0015 0.0050 0.0008 -.0004 0.0000
Al4  .1120 .9175 .1649 0.0018 0.0015 0.0050 0.0008 -.0004 0.0002
Si1  .2962 .0649 .7066 0.0012 0.0013 0.0044 0.0007 -.0004 0.0000
Si2  .2910 .3317 .1892 0.0011 0.0014 0.0040 0.0007 -.0007 -.0001
O1   .1095 .1468 .1288 0.0022 0.0017 0.0060 0.0007 -.0007 -.0002
O2   .1230 .6856 .1812 0.0018 0.0018 0.0044 0.0006 -.0006 0.0001
O3   .2747 .4545 .9547 0.0024 0.0020 0.0051 0.0008 -.0005 0.0001
O4   .2831 .9354 .9353 0.0026 0.0017 0.0054 0.0010 0.0001 0.0005
O5   .1084 .1520 .6669 0.0025 0.0019 0.0051 0.0011 0.0000 0.0006
O6   .1219 .6307 .6389 0.0019 0.0019 0.0048 0.0007 -.0009 -.0005
O7   .2822 .4453 .4288 0.0027 0.0019 0.0054 0.0009 -.0002 -.0002
O8   .2915 .9467 .4659 0.0026 0.0023 0.0047 0.0013 -.0003 -.0002
O9   .5008 .2749 .2440 0.0023 0.0022 0.0051 0.0013 -.0005 0.0001
O10  .5015 .2312 .7553 0.0020 0.0020 0.0055 0.0006 -.0004 -.0002
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View JMOL 3-D Structure (permalink)
 
Kyanite
Download hom/kyanite.pdf
Winter J K, Ghose S
Download am/vol64/AM64_573.pdf
American Mineralogist 64 (1979) 573-586
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs
T = 400 deg C
_database_code_amcsd 0000734
7.1423 7.8724 5.5968 89.94 101.18 105.99 P-1
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1  .3259 .7041 .4584 0.0028 0.0041 0.0062 0.0011 -.0003 0.0005
Al2  .2976 .6990 .9505 0.0040 0.0030 0.0063 0.0016 -.0002 -.0002
Al3  .1000 .3859 .6403 0.0036 0.0026 0.0081 0.0013 0.0001 0.0005
Al4  .1127 .9181 .1655 0.0037 0.0027 0.0079 0.0016 0.0000 0.0007
Si1  .2961 .0651 .7068 0.0023 0.0023 0.0065 0.0010 -.0002 -.0001
Si2  .2909 .3315 .1892 0.0025 0.0023 0.0060 0.0011 -.0006 -.0002
O1   .1100 .1466 .1292 0.0039 0.0028 0.0094 0.0008 -.0008 0.0001
O2   .1237 .6862 .1819 0.0035 0.0030 0.0068 0.0013 -.0002 0.0003
O3   .2745 .4546 .9557 0.0048 0.0033 0.0080 0.0015 -.0006 0.0010
O4   .2828 .9353 .9345 0.0048 0.0033 0.0086 0.0019 0.0008 0.0016
O5   .1090 .1523 .6673 0.0041 0.0036 0.0088 0.0022 0.0006 0.0008
O6   .1227 .6300 .6388 0.0034 0.0031 0.0067 0.0014 -.0004 -.0002
O7   .2819 .4443 .4281 0.0047 0.0037 0.0084 0.0017 0.0008  .0000
O8   .2915 .9479 .4665 0.0046 0.0040 0.0072 0.0019 -.0005 -.0008
O9   .5004 .2755 .2445 0.0042 0.0043 0.0075 0.0023 -.0001 0.0005
O10  .5014 .2305 .7551 0.0040 0.0034 0.0081 0.0007 0.0004 0.0001
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Kyanite
Download hom/kyanite.pdf
Winter J K, Ghose S
Download am/vol64/AM64_573.pdf
American Mineralogist 64 (1979) 573-586
Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs
T = 600 deg C
_database_code_amcsd 0000735
7.1582 7.8821 5.6089 89.90 101.21 105.98 P-1
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Al1  .3263 .7042 .4586 0.0040 0.0055 0.0084 0.0018 -.0005 0.0008
Al2  .2978 .6990 .9507 0.0055 0.0040 0.0087 0.0022 -.0003 -.0001
Al3  .1001 .3858 .6405 0.0048 0.0035 0.0110 0.0019 0.0002 0.0006
Al4  .1131 .9185 .1659 0.0051 0.0036 0.0105 0.0024 0.0001 0.0010
Si1  .2961 .0650 .7068 0.0033 0.0030 0.0086 0.0016 -.0002 0.0001
Si2  .2908 .3314 .1893 0.0035 0.0030 0.0081 0.0017 -.0007 -.0001
O1   .1101 .1469 .1291 0.0049 0.0034 0.0129 0.0013 -.0009 0.0002
O2   .1239 .6868 .1817 0.0047 0.0037 0.0089 0.0018 -.0004 0.0003
O3   .2744 .4542 .9560 0.0063 0.0041 0.0100 0.0020 -.0005 0.0006
O4   .2830 .9358 .9341 0.0065 0.0040 0.0111 0.0024 0.0014 0.0015
O5   .1090 .1524 .6673 0.0052 0.0041 0.0123 0.0028 0.0007 0.0010
O6   .1229 .6300 .6396 0.0046 0.0041 0.0090 0.0017 -.0004 0.0000
O7   .2814 .4438 .4280 0.0062 0.0046 0.0113 0.0021 0.0013 -.0006
O8   .2916 .9483 .4670 0.0064 0.0052 0.0092 0.0026 -.0004 -.0011
O9   .5004 .2755 .2443 0.0050 0.0054 0.0099 0.0029 -.0001 0.0005
O10  .5011 .2303 .7550 0.0047 0.0044 0.0108 0.0010 0.0000 0.0000
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Kyanite
Download hom/kyanite.pdf
Comodi P, Zanazzi P F, Poli S, Schmidt M W
Download am/vol82/AM82_452.pdf
American Mineralogist 82 (1997) 452-459
High-pressure behavior of kyanite: Compressibility and structural deformation
Sample: P = 0.001 kbar, in air
_database_code_amcsd 0001887
7.124 7.856 5.577 89.99 101.15 105.95 P-1
atom     x     y     z  Uiso
Si1  .2963 .0649 .7067 .0040
Si2  .2910 .3318 .1892 .0038
Al1  .3254 .7042 .4582 .0047
Al2  .2974 .6988 .9505 .0046
Al3  .0997 .3861 .6405 .0045
Al4  .1120 .9174 .1648 .0047
O1   .1094 .1469 .1288 .0054
O2   .1231 .6855 .1815 .0049
O3   .2750 .4546 .9546 .0058
O4   .2832 .9356 .9357 .0056
O5   .1083 .1521 .6666 .0052
O6   .1221 .6306 .6390 .0051
O7   .2823 .4452 .4288 .0058
O8   .2914 .9469 .4659 .0058
O9   .5007 .2751 .2447 .0055
O10  .5012 .2310 .7561 .0053
Download AMC data (View Text File)
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Kyanite
Download hom/kyanite.pdf
Comodi P, Zanazzi P F, Poli S, Schmidt M W
Download am/vol82/AM82_452.pdf
American Mineralogist 82 (1997) 452-459
High-pressure behavior of kyanite: Compressibility and structural deformation
Sample: P = 0.1 kbar
_database_code_amcsd 0001888
7.117 7.860 5.575 90.02 101.02 106.06 P-1
atom    x     y     z  Uiso
Si1  .297 .0651 .7070 .0052
Si2  .292 .3321 .1893 .0053
Al1  .323 .7038 .4582  .006
Al2  .298 .6991 .9501 .0061
Al3  .101 .3856 .6409 .0052
Al4  .111 .9170 .1648 .0053
O1   .104  .146  .128   .01
O2   .130  .686  .184  .003
O3   .272  .454  .954  .004
O4   .282  .935  .934  .006
O5   .106  .150  .664  .004
O6   .119  .629  .637  .005
O7   .284  .445  .429  .009
O8   .292  .948  .463  .005
O9   .499  .277  .245  .008
O10  .494  .231  .753  .005
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Kyanite
Download hom/kyanite.pdf
Comodi P, Zanazzi P F, Poli S, Schmidt M W
Download am/vol82/AM82_452.pdf
American Mineralogist 82 (1997) 452-459
High-pressure behavior of kyanite: Compressibility and structural deformation
Sample: P = 25.4 kbar
_database_code_amcsd 0001889
7.079 7.824 5.547 90.13 101.00 105.98 P-1
atom    x     y     z  Uiso
Si1  .298 .0660 .7073 .0025
Si2  .292 .3316 .1895 .0031
Al1  .326 .7043 .4592 .0037
Al2  .299 .6992 .9506 .0045
Al3  .103 .3866 .6403 .0036
Al4  .112 .9181 .1652 .0037
O1   .108  .148  .132  .006
O2   .129  .687  .184  .003
O3   .272  .455  .956  .004
O4   .283  .936  .936  .004
O5   .110  .151  .665  .008
O6   .118  .631  .638  .004
O7   .285  .446  .429  .004
O8   .292  .947  .465  .006
O9   .499  .275  .245  .004
O10  .498  .232  .754  .004
Download AMC data (View Text File)
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Kyanite
Download hom/kyanite.pdf
Comodi P, Zanazzi P F, Poli S, Schmidt M W
Download am/vol82/AM82_452.pdf
American Mineralogist 82 (1997) 452-459
High-pressure behavior of kyanite: Compressibility and structural deformation
Sample: P = 37 kbar
_database_code_amcsd 0001890
7.065 7.805 5.537 90.12 101.08 105.86 P-1
atom    x     y     z  Uiso
Si1  .299 .0660 .7080 .0034
Si2  .293 .3319 .1892 .0026
Al1  .328 .7051 .4600 .0055
Al2  .297 .6989 .9495 .0040
Al3  .102 .3867 .6409 .0041
Al4  .113 .9184 .1653 .0053
O1   .109  .148  .130  .011
O2   .128  .685  .181  .003
O3   .276  .454  .951  .005
O4   .283  .933  .935  .008
O5   .113  .152  .666  .002
O6   .115  .629  .638  .012
O7   .284  .444  .429  .012
O8   .292  .946  .465  .004
O9   .504  .275  .245  .010
O10  .499  .232  .753  .001
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Kyanite
Download hom/kyanite.pdf
Comodi P, Zanazzi P F, Poli S, Schmidt M W
Download am/vol82/AM82_452.pdf
American Mineralogist 82 (1997) 452-459
High-pressure behavior of kyanite: Compressibility and structural deformation
Sample: P = 47 kbar
_database_code_amcsd 0001891
7.063 7.784 5.524 90.13 101.16 105.85 P-1
atom    x     y     z Uiso
Si1  .298 .0655 .7069 .003
Si2  .294 .3325 .1897 .003
Al1  .326  .705  .458 .006
Al2  .295 .6989  .950 .006
Al3  .102 .3879  .641 .000
Al4  .110 .9144  .163 .001
O1   .119  .150  .134 .002
O2   .116  .680  .181 .001
O3   .280  .455  .953 .002
O4   .278  .934  .937 .000
O5   .119  .155  .667 .002
O6   .121  .633  .640 .001
O7   .287  .447  .429 .000
O8   .291  .946  .462 .003
O9   .511  .273  .247 .005
O10  .511  .237  .758 .005
Download AMC data (View Text File)
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 0.0 GPa, in air
_database_code_amcsd 0001892
7.1200 7.8479 5.5738 89.974 101.117 106.000 P-1
atom      x      y      z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3)  B(2,3)
Al1  .32533 .70412 .45812 .00143 .00142 .00204 .00038 .00040  .00038
Al2  .29740 .69882 .95040 .00169 .00099 .00210 .00038 .00049  .00000
Al3  .09980 .38615 .64043 .00157 .00080 .00270 .00033 .00051  .00032
Al4  .11205 .91750 .16469 .00168 .00095 .00276 .00054 .00056  .00028
Si1  .29625 .06488 .70657 .00114 .00081 .00219 .00028 .00049  .00001
Si2  .29102 .33168 .18937 .00122 .00084 .00196 .00032 .00027  .00005
O1   .10933 .14685 .12866 .00227 .00120 .00378 .00039 .00028 -.00010
O2   .12287 .68535 .18113 .00178 .00096 .00299 .00040 .00063  .00021
O3   .27507 .45443 .95474 .00225 .00129 .00301 .00051 .00031  .00019
O4   .28353 .93570 .93567 .00215 .00122 .00318 .00066 .00099  .00033
O5   .10836 .15210 .66671 .00162 .00146 .00343 .00052 .00087  .00032
O6   .12192 .63063 .63939 .00176 .00134 .00245 .00054 .00047  .00002
O7   .28226 .44512 .42868 .00219 .00147 .00290 .00063 .00094 -.00021
O8   .29156 .94684 .46574 .00234 .00140 .00288 .00077 .00049 -.00010
O9   .50074 .27519 .24405 .00177 .00192 .00281 .00078 .00062  .00015
O10  .50154 .23099 .75595 .00166 .00165 .00261 .00078 .00051  .00014
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 1.35 GPa
_database_code_amcsd 0001893
7.1038 7.8305 5.5605 90.023 101.112 106.001 P-1
atom     x     y     z Biso
Al1  .3249 .7041 .4581  .43
Al2  .2972 .6989 .9499  .35
Al3  .0996 .3861 .6405  .37
Al4  .1114 .9171 .1639  .37
Si1  .2964 .0647 .7067  .38
Si2  .2922 .3324 .1911  .35
O1   .1092 .1480 .1296  .37
O2   .1215 .6844 .1786  .46
O3   .2748 .4546 .9550  .42
O4   .2837 .9361 .9367  .44
O5   .1080 .1516 .6670  .46
O6   .1213 .6310 .6403  .45
O7   .2821 .4455 .4297  .45
O8   .2915 .9476 .4657  .44
O9   .5005 .2743 .2445  .57
O10  .5015 .2320 .7555  .57
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 2.54 GPa
_database_code_amcsd 0001894
7.0896 7.8173 5.5497 90.031 101.098 105.987 P-1
atom     x     y     z Biso
Al1  .3245 .7038 .4572  .42
Al2  .2973 .6990 .9507  .38
Al3  .0997 .3862 .6408  .40
Al4  .1116 .9170 .1642  .42
Si1  .2964 .0646 .7057  .36
Si2  .2918 .3322 .1906  .39
O1   .1096 .1477 .1308  .52
O2   .1223 .6838 .1786  .41
O3   .2762 .4552 .9556  .39
O4   .2838 .9368 .9372  .52
O5   .1082 .1518 .6679  .43
O6   .1216 .6312 .6400  .54
O7   .2817 .4452 .4291  .59
O8   .2923 .9480 .4659  .45
O9   .5005 .2731 .2440  .62
O10  .5013 .2315 .7553  .58
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 3.73 GPa
_database_code_amcsd 0001895
7.0750 7.8027 5.5367 90.063 101.091 105.985 P-1
atom     x     y     z Biso
Al1  .3241 .7034 .4560  .41
Al2  .2985 .6994 .9524  .36
Al3  .1001 .3866 .6413  .34
Al4  .1124 .9176 .1652  .36
Si1  .2959 .0650 .7054  .33
Si2  .2919 .3321 .1910  .38
O1   .1085 .1478 .1299  .53
O2   .1213 .6837 .1780  .50
O3   .2763 .4551 .9547  .43
O4   .2838 .9366 .9376  .35
O5   .1083 .1522 .6671  .50
O6   .1203 .6310 .6400  .34
O7   .2822 .4456 .4292  .48
O8   .2925 .9479 .4657  .43
O9   .5011 .2730 .2439  .48
O10  .5012 .2327 .7555  .47
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Kyanite
Download hom/kyanite.pdf
Yang H, Downs R T, Finger L W, Hazen R M, Prewitt C T
Download am/vol82/AM82_467.pdf
American Mineralogist 82 (1997) 467-474
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
Sample: at P = 4.56 GPa
_database_code_amcsd 0001896
7.0648 7.7926 5.5299 90.089 101.085 105.982 P-1
atom     x     y     z Biso
Al1  .3243 .7035 .4565  .39
Al2  .2976 .6988 .9503  .38
Al3  .0998 .3861 .6403  .37
Al4  .1123 .9178 .1649  .33
Si1  .2963 .0651 .7056  .34
Si2  .2925 .3326 .1915  .36
O1   .1089 .1477 .1322  .44
O2   .1209 .6825 .1780  .39
O3   .2764 .4546 .9538  .40
O4   .2844 .9355 .9380  .43
O5   .1090 .1524 .6697  .40
O6   .1209 .6309 .6401  .27
O7   .2839 .4463 .4299  .53
O8   .2924 .9476 .4651  .47
O9   .5018 .2729 .2438  .43
O10  .5013 .2339 .7559  .62
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Kyanite
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Naray-Szabo S, Taylor W, Jackson W
 
Zeitschrift fur Kristallographie 71 (1929) 117-130
The Structure of Cyanite
_cod_database_code 1010987
_database_code_amcsd 0017903
7.09 7.72 5.56 90.09 101.03 105.74 P-1
atom   x    y    z
O1   .38  .34  .35
O2   .38 -.16  .35
O3   .22  .07 -.45
O4   .22 -.47 -.45
O5   .38  .34 -.15
O6   .38 -.16 -.15
O7   .22  .07  .05
O8   .22 -.47  .05
O9     0  .25  .25
O10    0  .25 -.25
Si1   .2  .42  -.2
Si2   .2  .18   .3
Al1  .19 -.21  .05
Al2  .19 -.21  .45
Al3  .39  .09 -.17
Al4  .39 -.41  .33
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Kyanite
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de Rango C, Tsoucaris G, Zelwer C, Devaux J
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 419-424
Comparaison de deux affinements de la structure de la cyanite
_cod_database_code 1008755
_database_code_amcsd 0016632
7.11 7.83 5.58 89.88 101.23 106.10 P-1
atom      x      y      z
O1    .3904  .3538  .3721
O2    .3767 -.1860  .3192
O3    .2259  .0464 -.4559
O4    .2169 -.4343 -.4347
O5    .3899  .3465 -.1673
O6    .3780 -.1312 -.1392
O7    .2169  .0542  .0700
O8    .2081 -.4472  .0351
O9   -.0005  .2255  .2562
O10  -.0018  .2682 -.2562
Si1   .2035  .4347 -.2069
Si2   .2090  .1687  .3108
Al1   .1739 -.2041  .0424
Al2   .2026 -.1989 -.4498
Al3   .4000  .1134 -.1410
Al4   .3880 -.4171  .3348
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Kyanite
Download hom/kyanite.pdf
de Rango C, Tsoucaris G, Zelwer C, Devaux J
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 419-424
Comparaison de deux affinements de la structure de la cyanite
_cod_database_code 1008759
_database_code_amcsd 0016636
7.11 7.83 5.58 89.9 101.2 106.1 P-1
atom      x      y      z
Al1   .1739 -.2041  .0424
Al2   .2026 -.1989 -.4498
Al3   .4000  .1134 -.1410
Al4   .3880 -.4171  .3348
Si1   .2035  .4347 -.2069
Si2   .2090  .1687  .3108
O1    .3904  .3538  .3721
O2    .3767 -.1860  .3192
O3    .2259  .0464 -.4559
O4    .2169 -.4343 -.4347
O5    .3899  .3465 -.1673
O6    .3780 -.1312 -.1392
O7    .2169  .0542  .0700
O8    .2081 -.4472  .0351
O9   -.0005  .2255  .2562
O10  -.0018  .2682 -.2562
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Kyanite
Download hom/kyanite.pdf
Taylor W, Jackson W
 
Proceedings of the Royal Society of London 119 (1928) 132-146
The structure of cyanite, Al2SiO5
_cod_database_code 1010329
_database_code_amcsd 0017255
7.09 7.72 5.56 90.092 101.033 105.742 P-1
atom   x    y    z
Al1  .23 -.21   .3
Al2  .17 -.21  -.2
Al3  .38  .11  .07
Al4  .38 -.42 -.43
Si1   .2  .42 -.48
Si2   .2  .18  .02
O1    .4  .35  -.4
O2    .4 -.15  -.4
O3    .2  .05  -.2
O4    .2 -.45  -.2
O5    .4  .35   .1
O6    .4 -.15   .1
O7    .2  .05   .3
O8    .2 -.45   .3
O9     0  .25   .5
O10    0  .25    0
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Total number of retrieved datasets: 17
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