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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)
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 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)
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 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)
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 |
|
American Mineralogist 76 (1991) 370-396 |
|
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)
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 |
|
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 |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
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 |
|
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, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
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
|
| |
|
Titanite |
|
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, |
|
Rossman G R, Wicks F J, Ramik R A, Sherriff B L, Fleet M E, McCammon C A |
|
American Mineralogist 76 (1991) 370-396 |
|
Alpha-decay damage in titanite |
|
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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Ca3Zr2FeAlSiO12 |
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Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
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Journal of Solid State Chemistry 180 (2007) 785-791 |
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The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, |
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neutron diffraction and Mossbauer spectroscopy |
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Locality: synthetic |
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_database_code_amcsd 0014050 |
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12.5122 12.5122 12.5122 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0070 |
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Zr 0 0 0 .0052 |
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Al .375 0 .25 .35 .0107 |
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Fe .375 0 .25 .31 .0107 |
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Si .375 0 .25 .31 .0107 |
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O -.03445 .05101 .15499 .0103 |
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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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Ca3Zr2Fe1.5Al0.5SiO12 |
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Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
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Journal of Solid State Chemistry 180 (2007) 785-791 |
|
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, |
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neutron diffraction and Mossbauer spectroscopy |
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Locality: synthetic |
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_database_code_amcsd 0014051 |
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12.5844 12.5844 12.5844 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0063 |
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Zr 0 0 0 .0058 |
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Al .375 0 .25 .16 .0051 |
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Fe .375 0 .25 .48 .0051 |
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Si .375 0 .25 .27 .0051 |
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O -.03362 .05142 .15450 .0104 |
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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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Kerimasite |
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Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
| |
Journal of Solid State Chemistry 180 (2007) 785-791 |
|
The structure and ordering of zirconium and hafnium containing garnets studied |
|
by electron channelling, neutron diffraction and Mossbauer spectroscopy |
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Locality: synthetic |
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_database_code_amcsd 0014052 |
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12.6164 12.6164 12.6164 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0083 |
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Zr 0 0 0 .0063 |
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Fe .375 0 .25 .65 .0057 |
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Si .375 0 .25 .31 .0057 |
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O -.03318 .05152 .15365 .0127 |
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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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Ca3Hf2FeAlSiO12 |
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Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
| |
Journal of Solid State Chemistry 180 (2007) 785-791 |
|
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, |
|
neutron diffraction and Mossbauer spectroscopy |
|
Locality: synthetic |
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_database_code_amcsd 0014053 |
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12.5145 12.5145 12.5145 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0096 |
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Hf 0 0 0 .0045 |
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Al .375 0 .25 .41 .0056 |
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Fe .375 0 .25 .33 .0056 |
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Si .375 0 .25 .33 .0056 |
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O -.03452 .05045 .15437 .0115 |
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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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Ca3Hf2Fe2SiO12 |
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Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
| |
Journal of Solid State Chemistry 180 (2007) 785-791 |
|
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, |
|
neutron diffraction and Mossbauer spectroscopy |
|
Locality: synthetic |
|
_database_code_amcsd 0014054 |
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12.5898 12.5898 12.5898 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0085 |
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Hf 0 0 0 .0042 |
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Fe .375 0 .25 .72 .0063 |
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Si .375 0 .25 .33 .0063 |
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O -.03312 .05113 .15357 .0133 |
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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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Kerimasite |
| |
Whittle K R, Lumpkin G R, Berry F J, Oates G, Smith K L, Yudintsev S, Zaluzec N J |
| |
Journal of Solid State Chemistry 180 (2007) 785-791 |
|
The structure and ordering of zirconium and hafnium containing garnets studied by |
|
electron channelling, neutron diffraction and Mossbauer spectroscopy |
|
Locality: synthetic |
|
_database_code_amcsd 0014052 |
|
12.6164 12.6164 12.6164 90 90 90 Ia3d |
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atom x y z occ Uiso |
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Ca .125 0 .25 .0083 |
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Zr 0 0 0 .0063 |
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Fe .375 0 .25 .65 .0057 |
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Si .375 0 .25 .31 .0057 |
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O -.03318 .05152 .15365 .0127 |
|
|
| 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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