|
Beryl |
 |
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
 |
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 3 |
|
_database_code_amcsd 0001172 |
|
9.2736 9.2736 9.1910 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3852 .1122 0 .0062 .0063 .0016 .0034 0 0 |
|
Be .5 0 .25 .953 .006 |
|
Li .5 0 .25 .009 .006 |
|
Si2 .5 0 .25 .037 .006 |
|
Al1 .5 0 .25 .001 .006 |
|
Al2 2/3 1/3 .25 .654 .0084 .0084 .0049 .0042 0 0 |
|
Fe1 2/3 1/3 .25 .037 .0084 .0084 .0049 .0042 0 0 |
|
Fe2 2/3 1/3 .25 .146 .0084 .0084 .0049 .0042 0 0 |
|
Mg 2/3 1/3 .25 .164 .0084 .0084 .0049 .0042 0 0 |
|
O1 .3062 .2315 0 .0147 .0141 .0147 .0114 0 0 |
|
O2 .4951 .1418 .1450 .0130 .0135 .0045 .0085 -.0024 -.0001 |
|
Na 0 0 .25 .406 .0580 .0580 .0323 .0290 0 0 |
|
Cs 0 0 .25 .012 .0580 .0580 .0323 .0290 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 1 |
|
_database_code_amcsd 0001173 |
|
9.2666 9.2666 9.1874 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3858 .1130 0 .0036 .0033 .0045 .0019 0 0 |
|
Be .5 0 .25 .972 .006 |
|
Li .5 0 .25 .009 .006 |
|
Si2 .5 0 .25 .009 .006 |
|
Al1 .5 0 .25 .016 .006 |
|
Al2 2/3 1/3 .25 .763 .0043 .0043 .0073 .0021 0 0 |
|
Fe 2/3 1/3 .25 .15 .0043 .0043 .0073 .0021 0 0 |
|
Mg 2/3 1/3 .25 .088 .0043 .0043 .0073 .0021 0 0 |
|
O1 .3050 .2311 0 .0127 .0102 .0197 .0097 0 0 |
|
O2 .4956 .1429 .1452 .0116 .0113 .0073 .0078 -.0026 -.0006 |
|
Na 0 0 .25 .425 .0499 .0499 .0319 .0249 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 2 |
|
_database_code_amcsd 0001174 |
|
9.2676 9.2676 9.1945 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3858 .1128 0 .0041 .0038 .0036 .0023 0 0 |
|
Be .5 0 .25 .981 .006 |
|
Li .5 0 .25 .006 .006 |
|
Si2 .5 0 .25 .012 .006 |
|
Al1 .5 0 .25 .001 .006 |
|
Al2 2/3 1/3 .25 .745 .0053 .0053 .0057 .0026 0 0 |
|
Fe1 2/3 1/3 .25 .006 .0053 .0053 .0057 .0026 0 0 |
|
Fe2 2/3 1/3 .25 .081 .0053 .0053 .0057 .0026 0 0 |
|
Mg 2/3 1/3 .25 .17 .0053 .0053 .0057 .0026 0 0 |
|
O1 .3045 .2305 0 .0122 .0099 .0178 .0089 0 0 |
|
O2 .4951 .1424 .1451 .0109 .0106 .0064 .0068 -.0027 -.0006 |
|
Na 0 0 .25 .443 .0709 .0709 .0431 .0354 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 6 |
|
_database_code_amcsd 0001175 |
|
9.2531 9.2531 9.1918 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3863 .1139 0 .0051 .0046 .0036 .0026 0 0 |
|
Be .5 0 .25 .959 .008 |
|
Li .5 0 .25 .033 .008 |
|
Si2 .5 0 .25 .008 .008 |
|
Al 2/3 1/3 .25 .826 .0064 .0064 .0063 .0032 0 0 |
|
Fe1 2/3 1/3 .25 .02 .0064 .0064 .0063 .0032 0 0 |
|
Fe2 2/3 1/3 .25 .097 .0064 .0064 .0063 .0032 0 0 |
|
Mg 2/3 1/3 .25 .058 .0064 .0064 .0063 .0032 0 0 |
|
O1 .3064 .2326 0 .0143 .0120 .0172 .0103 0 0 |
|
O2 .4960 .1434 .1451 .0123 .0115 .0067 .0073 -.0026 -.0009 |
|
Na 0 0 .25 .315 .0321 .0321 .0239 .0161 0 0 |
|
Cs 0 0 .25 .04 .0321 .0321 .0239 .0161 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 24 |
|
Note: U(1,2) for Na altered to match symmetry constraints. |
|
_database_code_amcsd 0001176 |
|
9.2367 9.2367 9.1903 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3867 .1142 0 .0045 .0045 .0034 .0023 0 0 |
|
Be .5 0 .25 .966 .006 |
|
Li .5 0 .25 .005 .006 |
|
Si2 .5 0 .25 .003 .006 |
|
Al1 .5 0 .25 .026 .006 |
|
Al2 2/3 1/3 .25 .84 .0042 .0042 .0039 .0021 0 0 |
|
Fe 2/3 1/3 .25 .032 .0042 .0042 .0039 .0021 0 0 |
|
Mg 2/3 1/3 .25 .129 .0042 .0042 .0039 .0021 0 0 |
|
O1 .3070 .2332 0 .0122 .0108 .0151 .0090 0 0 |
|
O2 .4968 .1442 .1452 .0107 .0094 .0053 .0059 -.0026 -.0004 |
|
OH 0 0 0 .9 |
|
Na 0 0 .25 .243 .0393 .0393 .0256 .01965 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 7 |
|
_database_code_amcsd 0001177 |
|
9.2364 9.2364 9.1933 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3864 .1147 0 .0045 .0041 .0031 .0023 0 0 |
|
Be .5 0 .25 .98 .006 |
|
Li .5 0 .25 .004 .006 |
|
Si2 .5 0 .25 .015 .006 |
|
Al1 .5 0 .25 .001 .006 |
|
Al2 2/3 1/3 .25 .859 .0050 .0050 .0036 .0025 0 0 |
|
Fe1 2/3 1/3 .25 .015 .0050 .0050 .0036 .0025 0 0 |
|
Fe2 2/3 1/3 .25 .071 .0050 .0050 .0036 .0025 0 0 |
|
Mn 2/3 1/3 .25 .025 .0050 .0050 .0036 .0025 0 0 |
|
Mg 2/3 1/3 .25 .012 .0050 .0050 .0036 .0025 0 0 |
|
Ti 2/3 1/3 .25 .019 .0050 .0050 .0036 .0025 0 0 |
|
O1 .3095 .2359 0 .0113 .0090 .0129 .0074 0 0 |
|
O2 .4976 .1445 .1451 .0091 .0075 .0055 .0046 -.0024 -.0005 |
|
Na 0 0 .25 .053 .0056 .0056 .0567 .0028 0 0 |
|
K 0 0 .25 .026 .0056 .0056 .0567 .0028 0 0 |
|
Cs 0 0 .25 .013 .0056 .0056 .0567 .0028 0 0 |
|
Rb 0 0 .25 .003 .0056 .0056 .0567 .0028 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 8 |
|
_database_code_amcsd 0001178 |
|
9.2242 9.2242 9.1934 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3870 .1154 0 .0037 .0036 .0038 .0020 0 0 |
|
Be .5 0 .25 .988 .005 |
|
Li .5 0 .25 .005 .005 |
|
Si2 .5 0 .25 .002 .005 |
|
Al1 .5 0 .25 .004 .005 |
|
Al2 2/3 1/3 .25 .954 .0041 .0041 .0043 .0021 0 0 |
|
Fe1 2/3 1/3 .25 .002 .0041 .0041 .0043 .0021 0 0 |
|
Fe2 2/3 1/3 .25 .039 .0041 .0041 .0043 .0021 0 0 |
|
Mn 2/3 1/3 .25 .007 .0041 .0041 .0043 .0021 0 0 |
|
O1 .3095 .2362 0 .0102 .0080 .0129 .0066 0 0 |
|
O2 .4983 .1451 .1451 .0079 .0058 .0061 .0032 -.0023 -.0004 |
|
Na 0 0 .25 .061 .0258 .0258 .1033 .0129 0 0 |
|
Cs 0 0 .25 .015 .0258 .0258 .1033 .0129 0 0 |
|
Rb 0 0 .25 .002 .0258 .0258 .1033 .0129 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 12 |
|
Note: U(1,2) for Na altered to match symmetry constraints. |
|
_database_code_amcsd 0001179 |
|
9.2202 9.2202 9.1960 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3875 .1160 0 .0031 .0027 .0035 .0016 0 0 |
|
Be .5 0 .25 .979 .006 |
|
Li .5 0 .25 .01 .006 |
|
Si2 .5 0 .25 .008 .006 |
|
Al1 .5 0 .25 .003 .006 |
|
Al2 2/3 1/3 .25 .954 .0037 .0037 .0049 .0018 0 0 |
|
Fe 2/3 1/3 .25 .046 .0037 .0037 .0049 .0018 0 0 |
|
O1 .3084 .2353 0 .0103 .0082 .0148 .0072 0 0 |
|
O2 .4982 .1453 .1449 .0080 .0067 .0064 .0043 -.0030 -.0010 |
|
Na 0 0 .25 .067 .0359 .0359 .0306 .01795 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 26 |
|
_database_code_amcsd 0001180 |
|
9.2176 9.2176 9.1968 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .3877 .1161 0 .0046 .0040 .0028 .0024 0 0 |
|
Be .5 0 .25 .993 .005 |
|
Li .5 0 .25 .006 .005 |
|
Al1 .5 0 .25 .001 .005 |
|
Al2 2/3 1/3 .25 .961 .0044 .0044 .0035 .0022 0 0 |
|
Fe 2/3 1/3 .25 .009 .0044 .0044 .0035 .0022 0 0 |
|
Mg 2/3 1/3 .25 .03 .0044 .0044 .0035 .0022 0 0 |
|
O1 .3083 .2349 0 .0117 .0086 .0130 .0081 0 0 |
|
O2 .4983 .1451 .1448 .0082 .0073 .0059 .0042 -.0028 -.0007 |
|
Na 0 0 .25 .091 .0500 .0500 .0495 .0250 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 16 |
|
_database_code_amcsd 0001181 |
|
9.2097 9.2097 9.1943 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3876 .1158 0 .0012 .0011 .0001 .0006 0 0 |
|
Be .5 0 .25 .995 .003 |
|
Li .5 0 .25 .002 .003 |
|
Si2 .5 0 .25 .001 .003 |
|
Al1 .5 0 .25 .001 .003 |
|
Al2 2/3 1/3 .25 .988 .0039 .0039 .0025 .0019 0 0 |
|
Fe 2/3 1/3 .25 .012 .0039 .0039 .0025 .0019 0 0 |
|
O1 .3103 .2369 0 .0073 .0048 .0091 .0051 0 0 |
|
O2 .4989 .1456 .1452 .0050 .0031 .0033 .0023 -.0021 -.0006 |
|
Na 0 0 .25 .026 .0776 .0776 .0362 .0388 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 19 |
|
Note: U(1,2) for Na/Cs/Rb altered to match symmetry constraints. |
|
_database_code_amcsd 0001182 |
|
9.2155 9.2155 9.2291 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3894 .1191 0 .0029 .0029 .0043 .0016 0 0 |
|
Be .5 0 .25 .865 .007 |
|
Li .5 0 .25 .131 .007 |
|
Si2 .5 0 .25 .001 .007 |
|
Al1 .5 0 .25 .003 .007 |
|
Al2 2/3 1/3 .25 .0032 .0032 .0045 .0016 0 0 |
|
O1 .3051 .2348 0 .0104 .0087 .0192 .0075 0 0 |
|
O2 .4981 .147 .1447 .0118 .0114 .0100 .0073 -.0057 -.0040 |
|
Na 0 0 .25 .239 .0187 .0187 .0162 .00935 0 0 |
|
Cs 0 0 .25 .131 .0187 .0187 .0162 .00935 0 0 |
|
Rb 0 0 .25 .002 .0187 .0187 .0162 .00935 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 22 |
|
_database_code_amcsd 0001183 |
|
9.2148 9.2148 9.2318 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3894 .1192 0 .0041 .0041 .0026 .0022 0 0 |
|
Be .5 0 .25 .825 .007 |
|
Li .5 0 .25 .166 .007 |
|
Si2 .5 0 .25 .014 .007 |
|
Al 2/3 1/3 .25 .999 .0044 .0044 .0030 .0022 0 0 |
|
O1 .3049 .2346 0 .0121 .0090 .0200 .0083 0 0 |
|
O2 .4983 .1475 .1449 .0142 .0138 .0082 .0090 -.0059 -.0046 |
|
Na 0 0 .25 .228 .0247 .0247 .0189 .01235 0 0 |
|
Cs 0 0 .25 .154 .0247 .0247 .0189 .01235 0 0 |
|
Rb 0 0 .25 .002 .0247 .0247 .0189 .01235 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: 20 |
|
_database_code_amcsd 0001184 |
|
9.2097 9.2097 9.2337 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si1 .3893 .1190 0 .0045 .0045 .0044 .0024 0 0 |
|
Be .5 0 .25 .832 .008 |
|
Li .5 0 .25 .156 .008 |
|
Si2 .5 0 .25 .007 .008 |
|
Al1 .5 0 .25 .005 .008 |
|
Al2 2/3 1/3 .25 .0055 .0055 .0049 .0028 0 0 |
|
O1 .3054 .2351 0 .0128 .0092 .0208 .0083 0 0 |
|
O2 .4980 .1471 .1448 .0135 .0142 .0102 .0087 -.0061 -.0046 |
|
Na 0 0 .25 .261 .0229 .0229 .0195 .01145 0 0 |
|
Cs 0 0 .25 .15 .0229 .0229 .0195 .01145 0 0 |
|
Rb 0 0 .25 .001 .0229 .0229 .0195 .01145 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: S1 |
|
_database_code_amcsd 0001185 |
|
9.2077 9.2077 9.1953 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .3874 .1159 0 .995 .0047 .0043 .0024 .0023 0 0 |
|
Al1 .3874 .1159 0 .005 .0047 .0043 .0024 .0023 0 0 |
|
Be .5 0 .25 .99 .005 |
|
Al2 .5 0 .25 .01 .005 |
|
Al3 2/3 1/3 .25 .98 .0056 .0056 .0027 .0028 0 0 |
|
Fe1 2/3 1/3 .25 .009 .0056 .0056 .0027 .0028 0 0 |
|
Fe2 2/3 1/3 .25 .011 .0056 .0056 .0027 .0028 0 0 |
|
O1 .3101 .2369 0 .0113 .0086 .0108 .0068 0 0 |
|
O2 .4988 .1457 .1453 .0086 .0065 .0041 .0034 -.0020 -.0004 |
|
Na 0 0 .25 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryl |
|
Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi P F |
|
American Mineralogist 73 (1988) 826-837 |
|
Reappraisal of the crystal chemistry of beryl |
|
Sample: S2 |
|
_database_code_amcsd 0001186 |
|
9.2051 9.2051 9.1953 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Si .3873 .1157 0 .995 .0045 .0040 .0034 .0021 0 0 |
|
Al1 .3873 .1157 0 .005 .0045 .0040 .0034 .0021 0 0 |
|
Be .5 0 .25 .99 .005 |
|
Al2 .5 0 .25 .01 .005 |
|
Al3 2/3 1/3 .25 .974 .0039 .0039 .0032 .00195 0 0 |
|
Cr 2/3 1/3 .25 .026 .0039 .0039 .0032 .00195 0 0 |
|
O1 .3100 .2366 0 .0105 .0085 .0128 .0072 0 0 |
|
O2 .4986 .1456 .1453 .0085 .0064 .0052 .0036 -.0022 -.0006 |
|
Na 0 0 .25 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dietrichite |
|
Ballirano P, Bellatreccia F, Grubessi O |
| |
European Journal of Mineralogy 15 (2003) 1043-1049 |
|
New crystal-chemical and structural data of dietrichite, |
|
ideally ZnAl2(SO4)4*22H2O, a member of the halotrichite group |
|
_database_code_amcsd 0007025 |
|
6.1757 24.262 21.206 90 100.436 90 P2_1/c |
|
atom x y z occ Uiso |
|
Zn .370 .5957 .0803 .954 .014 |
|
Al(1) .441 .6128 .4242 .97 .016 |
|
Al(2) .692 .3454 .1957 1.02 .016 |
|
S(1) .087 .2431 .5261 .018 |
|
S(2) .964 .4644 .3886 .018 |
|
S(3) .140 .1961 .2571 .018 |
|
S(4) .165 .4745 .1045 .018 |
|
O(1) .136 .214 .4694 .035 |
|
O(2) .017 .2999 .508 .035 |
|
O(3) -.089 .2146 .551 .035 |
|
O(4) .287 .244 .5762 .035 |
|
O(5) .993 .436 .3293 .035 |
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O(6) .894 .5217 .372 .035 |
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O(7) .793 .436 .417 .035 |
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O(8) .173 .4646 .4352 .035 |
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O(9) .132 .188 .3257 .035 |
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O(10) .220 .2528 .249 .035 |
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O(11) -.082 .1884 .218 .035 |
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O(12) .294 .1560 .236 .035 |
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O(13) .157 .4426 .1639 .035 |
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O(14) .236 .4383 .056 .035 |
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O(15) -.057 .4962 .079 .035 |
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O(16) .323 .5207 .120 .035 |
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Wat(1) .697 .586 .122 .035 |
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Wat(2) .324 .634 .165 .035 |
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Wat(3) .434 .673 .043 .035 |
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Wat(4) .044 .609 .044 .035 |
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Wat(5) .406 .559 -.004 .035 |
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Wat(6) .491 .559 .366 .035 |
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Wat(7) .153 .620 .375 .035 |
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Wat(8) .536 .668 .371 .035 |
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Wat(9) .368 .669 .480 .035 |
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Wat(10) .733 .606 .472 .035 |
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Wat(11) .357 .560 .478 .035 |
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Wat(12) .529 .348 .112 .035 |
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Wat(13) .943 .317 .168 .035 |
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Wat(14) .603 .271 .208 .035 |
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Wat(15) .839 .344 .281 .035 |
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Wat(16) .444 .372 .224 .035 |
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Wat(17) .785 .418 .187 .035 |
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Wat(18) .808 .259 .364 .035 |
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Wat(19) .199 .540 .264 .035 |
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Wat(20) .665 .507 .234 .035 |
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Wat(21) .405 .389 .346 .035 |
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Wat(22) .416 .291 .413 .035 |
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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
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Cyrilovite |
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Cozzupoli D, Grubessi O, Mottana A, Zanazzi P F |
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Mineralogy and Petrology 37 (1987) 1-14 |
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Cyrilovite from Italy: structure and crystal chemistry |
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Locality: Bosa, Sardinia, Italy |
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_database_code_amcsd 0014614 |
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7.313 7.313 19.3150 90 90 90 P4_12_12 |
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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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Na .3755 .3755 .5 .0208 .0208 .0239 .0104 -.0021 .0021 |
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Fe1 .3953 .1082 .2577 .0070 .0044 .0187 .0003 .0006 -.0006 |
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Fe2 .1035 .1035 0 .0049 .0049 .0181 -.0011 .0012 -.0012 |
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P .1411 .3660 .3502 .0055 .0067 .0156 -.0006 -.0006 .0010 |
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O2 .2950 .5065 .3387 .0078 .0122 .0241 -.0035 .0085 -.0013 |
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O3 .1981 .1801 .3197 .0159 .0108 .0307 .0028 .0037 .0000 |
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O4 .1058 .3487 .4285 .0094 .0104 .0169 .0027 .0048 .0043 |
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OH5 .1379 .3529 -.0431 .0165 .0122 .0149 -.0042 .0011 .0027 |
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O6 .1754 .0253 .1888 .0204 .0099 .0232 -.0061 -.0071 .0022 |
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OH7 .4106 .3492 .2109 .0120 .0028 .0209 -.0016 -.0004 .0051 |
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Wat1 -.0331 .4252 .3139 .0097 .0192 .0228 .0012 -.0021 .0119 |
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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
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