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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample M28658 natural from Maevatanana, Malagasy Republic |
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_database_code_amcsd 0001353 |
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6.549 8.695 7.060 90 113.87 90 C2/c |
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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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Ca 0 .1677 .75 .0072 .0071 .0254 0 -.0005 0 |
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Ti 0 .5 0 .0047 .0081 .0178 -.0002 .0017 .0045 |
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Si 0 .1828 .25 .0042 .0059 .0070 0 .0019 0 |
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O1 0 .5714 .25 .0118 .0083 .0082 0 .0055 0 |
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O2 .1855 .0663 .4102 .0057 .0090 .0110 .0007 .0020 .0017 |
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O3 .1025 .2893 .1185 .0068 .0088 .0098 .0001 .0037 .0008 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic |
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_database_code_amcsd 0001354 |
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6.539 8.692 7.037 90 113.79 90 C2/c |
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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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Ca 0 .1681 .75 .0070 .0055 .0233 0 -.0010 0 |
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Ti 0 .5 0 .0048 .0059 .0145 .0001 .0018 .0047 |
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Si 0 .1830 .25 .0046 .0034 .0055 0 .0017 0 |
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O1 0 .5706 .25 .0145 .0071 .0058 0 .0056 0 |
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O2 .1854 .0666 .4107 .0065 .0071 .0099 .0005 .0015 .0010 |
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O3 .1024 .2896 .1177 .0064 .0064 .0074 .0022 .0031 .0033 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample E2312 natural, from Sebastapol Twp., Ontario |
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_database_code_amcsd 0001355 |
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6.554 8.708 7.069 90 113.93 90 C2/c |
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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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Ca 0 .1675 .75 .0090 .0072 .0309 0 -.0013 0 |
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Ti 0 .5 0 .0072 .0087 .0174 .0041 .0025 .0000 |
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Si 0 .1830 .25 .0065 .0064 .0078 0 .0025 0 |
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O1 0 .5719 .25 .0127 .0081 .0087 0 .0047 0 |
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O2 .1855 .0665 .4104 .0082 .0107 .0126 .0018 .0015 .0006 |
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O3 .1027 .2897 .1186 .0098 .0093 .0128 .0018 .0052 .0009 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample E2312 annealed at 1090 C, from Sebastapol Twp., Ontario |
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_database_code_amcsd 0001356 |
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6.547 8.695 7.059 90 113.94 90 C2/c |
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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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Ca 0 .1673 .75 .0076 .0061 .0269 0 -.0005 0 |
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Ti 0 .5 0 .0047 .0064 .0152 .0044 .0021 -.0001 |
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Si 0 .1832 .25 .0052 .0050 .0069 0 .0024 0 |
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O1 0 .5717 .25 .0102 .0056 .0072 0 .0049 0 |
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O2 .1857 .0665 .4108 .0070 .0071 .0112 .0012 .0024 .0005 |
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O3 .1030 .2896 .1188 .0076 .0065 .0094 .0015 .0039 .0008 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample M28173 natural, from Gjerstad, Norway |
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_database_code_amcsd 0001357 |
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6.564 8.719 7.057 90 113.79 90 C2/c |
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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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Ca 0 .1686 .75 .0105 .0086 .0336 0 -.0022 0 |
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Ti 0 .5 0 .0105 .0123 .0200 .0036 .0036 .0004 |
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Si 0 .1827 .25 .0094 .0084 .0102 0 .0036 0 |
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O1 0 .5717 .25 .0163 .0124 .0138 0 .0057 0 |
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O2 .1851 .0660 .4103 .0117 .0149 .0170 .0019 .0024 -.0004 |
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O3 .1033 .2895 .1188 .0130 .0130 .0169 .0022 .0060 .0016 |
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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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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample M28173 annealed at 1090 C, from Gjerstad, Norway |
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_database_code_amcsd 0001358 |
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6.538 8.699 7.044 90 113.76 90 C2/c |
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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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Ca 0 .1678 .75 .0061 .0058 .0240 0 -.0018 0 |
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Ti 0 .5 0 .0055 .0076 .0134 .0036 .0018 -.0001 |
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Si 0 .1828 .25 .0060 .0058 .0071 0 .0022 0 |
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O1 0 .5727 .25 .0111 .0089 .0065 0 .0035 0 |
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O2 .1850 .0658 .4113 .0084 .0105 .0170 .0021 .0025 .0011 |
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O3 .1035 .2892 .1187 .0104 .0084 .0169 .0027 .0059 .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
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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample from Cardiff U Mine, Ontario, natural |
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_database_code_amcsd 0001359 |
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6.607 8.775 7.110 90 114.08 90 C2/c |
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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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Ca 0 .1687 .75 .0173 .0165 .0566 0 -.0041 0 |
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Ti 0 .5 0 .0202 .0245 .0405 .0049 .0056 .0015 |
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Si 0 .1835 .25 .0171 .0190 .0241 0 .0049 0 |
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O1 0 .5709 .25 .0227 .0218 .0283 0 .0061 0 |
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O2 .1859 .0664 .4094 .0217 .0274 .0316 .0026 .0039 -.0007 |
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O3 .1019 .2904 .1194 .0198 .0257 .0322 .0031 .0079 .0033 |
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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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Titanite |
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Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
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Halden N M, Lumpkin G R, Ewing R C, Greegor R B, Lytle F W, Ercit T S, |
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Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
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American Mineralogist 76 (1991) 370-396 |
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Alpha-decay damage in titanite |
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sample from Cardiff U Mine, Ontario, annealed at 1090 C |
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_database_code_amcsd 0001360 |
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6.530 8.677 7.048 90 113.91 90 C2/c |
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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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Ca 0 .1669 .75 .0016 .0001 .0194 0 -.0033 0 |
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Ti 0 .5 0 .0039 .0053 .0144 -.0001 .0018 .0049 |
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Si 0 .1835 .25 .0023 .0010 .0024 0 .0016 0 |
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O1 0 .5725 .25 .0070 .0018 .0001 0 .0000 0 |
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O2 .1877 .0668 .4115 .0007 .0054 .0065 -.0009 .0000 .0010 |
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O3 .1034 .2904 .1186 .0032 .0019 .0059 .0012 .0023 .0015 |
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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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Sn6SiO8 |
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Locock A J, Ramik R A, Back M E |
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The Canadian Mineralogist 44 (2006) 1457-1467 |
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The structures of two novel Sn2+ oxysalts found with romarchite and |
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hydroromarchite as corrosion products of pewter artifacts |
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_database_code_amcsd 0006130 |
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7.3742 7.3742 11.9598 90 90 120 P6_3mc |
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atom x y z Uiso |
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Sn1 .82637 .17363 .59214 .03065 |
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Sn2 .49272 .50728 .85203 .02947 |
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Si 1/3 2/3 .5963 .0146 |
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O1 .4547 .9094 .5477 .0275 |
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O2 1/3 2/3 .7307 .024 |
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O3 2/3 1/3 .6177 .0118 |
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O4 .1946 .3891 .9208 .0167 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Sn6SiO8(OH2) |
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Locock A J, Ramik R A, Back M E |
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The Canadian Mineralogist 44 (2006) 1457-1467 |
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The structures of two novel Sn2+ oxysalts found with romarchite and |
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hydroromarchite as corrosion products of pewter artifacts |
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_database_code_amcsd 0006131 |
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14.0071 12.5016 14.5030 90 90 90 Pbca |
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atom x y z occ Uiso |
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Sn1 .01749 .82313 .33891 .02042 |
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Sn2 .01109 .67521 .54400 .02078 |
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Sn3 .26344 .83072 .45157 .02085 |
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Sn4 .25365 .82371 .16166 .01995 |
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Sn5 .38223 .59124 .45298 .02045 |
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Sn6 .39966 .58021 .15603 .02378 |
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S .14065 .57227 .18255 .0194 |
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O1 .1286 .4669 .1349 .0271 |
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O2 .2167 .6332 .1284 .0282 |
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O3 .0520 .6293 .1814 .0354 |
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O4 .1773 .5560 .2772 .0395 |
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O5 .3845 .7443 .1898 .0147 |
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OH6 .0451 .6519 .3851 .0204 |
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OH7 .3796 .7455 .3750 .0170 |
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O8 -.0107 .8227 .4791 .0173 |
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O9 .3855 .6096 .0145 .0178 |
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O10 .2753 .8156 .0202 .0174 |
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SnA1 -.0160 .6752 .6624 .09 .0249 |
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SnA2 .2188 .8243 .3384 .09 .0318 |
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SnA3 .3337 .5807 .3428 .09 .0258 |
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SnA4 .2262 .8250 .0423 .09 .0280 |
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SnA5 .3575 .5908 .0471 .09 .0264 |
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SnA6 -.0263 .8322 .4521 .09 .028 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Groatite |
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Cooper M A, Hawthorne F C, Ball N A, Ramik R A, Roberts A C |
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The Canadian Mineralogist 47 (2009) 1225-1235 |
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Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group |
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from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and |
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crystal structure |
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Locality: Tanco Pegmatite, Bernic Lake, Manitoba, Canada |
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_database_code_amcsd 0006298 |
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12.5435 12.4324 6.7121 90 115.332 90 C2/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaA2 0 -.0439 .25 .0284 .0196 .0455 .0152 0 .0029 0 |
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CaM1 0 .28883 .25 .0119 .0116 .0098 .0155 0 .0070 0 |
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MnM2 .28243 .66313 .36073 .01008 .0111 .0080 .0112 .0001 .0049 .0002 |
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PT1 0 .68999 .25 .0085 .0090 .0078 .0081 0 .0031 0 |
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PT2 .21416 .89604 .11515 .0089 .0104 .0070 .0091 .0000 .0041 .0000 |
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O1 .4548 .7384 .5439 .0119 .0117 .0132 .0094 .0002 .0032 -.0019 |
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O2 .0980 .6176 .2399 .0136 .0111 .0094 .0198 .0006 .0062 -.0009 |
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O3 .3403 .6683 .0986 .0129 .0161 .0117 .0114 -.0018 .0064 -.0003 |
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Oh4 .1528 .4220 .3401 .0144 .0121 .0085 .0226 .0023 .0074 .0011 |
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O5 .2178 .8289 .3081 .0115 .0105 .0115 .0110 .0010 .0032 .0005 |
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O6 .3501 .5020 .4042 .0127 .0120 .0093 .0163 -.0006 .0057 .0020 |
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H .128 .4970 .305 .07 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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