|
Titanite |
 |
Hawthorne F C, Groat L A, Raudsepp M, Ball N A, Kimata M, Spike F D, Gaba R, |
|
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 M28658 natural from Maevatanana, Malagasy Republic |
|
_database_code_amcsd 0001353 |
|
6.549 8.695 7.060 90 113.87 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1677 .75 .0072 .0071 .0254 0 -.0005 0 |
|
Ti 0 .5 0 .0047 .0081 .0178 -.0002 .0017 .0045 |
|
Si 0 .1828 .25 .0042 .0059 .0070 0 .0019 0 |
|
O1 0 .5714 .25 .0118 .0083 .0082 0 .0055 0 |
|
O2 .1855 .0663 .4102 .0057 .0090 .0110 .0007 .0020 .0017 |
|
O3 .1025 .2893 .1185 .0068 .0088 .0098 .0001 .0037 .0008 |
|
|
| 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, |
|
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 M28658 annealed at 1090 C, from Maevatanana, Malagasy Republic |
|
_database_code_amcsd 0001354 |
|
6.539 8.692 7.037 90 113.79 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1681 .75 .0070 .0055 .0233 0 -.0010 0 |
|
Ti 0 .5 0 .0048 .0059 .0145 .0001 .0018 .0047 |
|
Si 0 .1830 .25 .0046 .0034 .0055 0 .0017 0 |
|
O1 0 .5706 .25 .0145 .0071 .0058 0 .0056 0 |
|
O2 .1854 .0666 .4107 .0065 .0071 .0099 .0005 .0015 .0010 |
|
O3 .1024 .2896 .1177 .0064 .0064 .0074 .0022 .0031 .0033 |
|
|
| 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, |
|
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 E2312 natural, from Sebastapol Twp., Ontario |
|
_database_code_amcsd 0001355 |
|
6.554 8.708 7.069 90 113.93 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1675 .75 .0090 .0072 .0309 0 -.0013 0 |
|
Ti 0 .5 0 .0072 .0087 .0174 .0041 .0025 .0000 |
|
Si 0 .1830 .25 .0065 .0064 .0078 0 .0025 0 |
|
O1 0 .5719 .25 .0127 .0081 .0087 0 .0047 0 |
|
O2 .1855 .0665 .4104 .0082 .0107 .0126 .0018 .0015 .0006 |
|
O3 .1027 .2897 .1186 .0098 .0093 .0128 .0018 .0052 .0009 |
|
|
| 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, |
|
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 E2312 annealed at 1090 C, from Sebastapol Twp., Ontario |
|
_database_code_amcsd 0001356 |
|
6.547 8.695 7.059 90 113.94 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1673 .75 .0076 .0061 .0269 0 -.0005 0 |
|
Ti 0 .5 0 .0047 .0064 .0152 .0044 .0021 -.0001 |
|
Si 0 .1832 .25 .0052 .0050 .0069 0 .0024 0 |
|
O1 0 .5717 .25 .0102 .0056 .0072 0 .0049 0 |
|
O2 .1857 .0665 .4108 .0070 .0071 .0112 .0012 .0024 .0005 |
|
O3 .1030 .2896 .1188 .0076 .0065 .0094 .0015 .0039 .0008 |
|
|
| 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, |
|
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 M28173 natural, from Gjerstad, Norway |
|
_database_code_amcsd 0001357 |
|
6.564 8.719 7.057 90 113.79 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1686 .75 .0105 .0086 .0336 0 -.0022 0 |
|
Ti 0 .5 0 .0105 .0123 .0200 .0036 .0036 .0004 |
|
Si 0 .1827 .25 .0094 .0084 .0102 0 .0036 0 |
|
O1 0 .5717 .25 .0163 .0124 .0138 0 .0057 0 |
|
O2 .1851 .0660 .4103 .0117 .0149 .0170 .0019 .0024 -.0004 |
|
O3 .1033 .2895 .1188 .0130 .0130 .0169 .0022 .0060 .0016 |
|
|
| 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, |
|
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 M28173 annealed at 1090 C, from Gjerstad, Norway |
|
_database_code_amcsd 0001358 |
|
6.538 8.699 7.044 90 113.76 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1678 .75 .0061 .0058 .0240 0 -.0018 0 |
|
Ti 0 .5 0 .0055 .0076 .0134 .0036 .0018 -.0001 |
|
Si 0 .1828 .25 .0060 .0058 .0071 0 .0022 0 |
|
O1 0 .5727 .25 .0111 .0089 .0065 0 .0035 0 |
|
O2 .1850 .0658 .4113 .0084 .0105 .0170 .0021 .0025 .0011 |
|
O3 .1035 .2892 .1187 .0104 .0084 .0169 .0027 .0059 .0010 |
|
|
| 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, |
|
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, natural |
|
_database_code_amcsd 0001359 |
|
6.607 8.775 7.110 90 114.08 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1687 .75 .0173 .0165 .0566 0 -.0041 0 |
|
Ti 0 .5 0 .0202 .0245 .0405 .0049 .0056 .0015 |
|
Si 0 .1835 .25 .0171 .0190 .0241 0 .0049 0 |
|
O1 0 .5709 .25 .0227 .0218 .0283 0 .0061 0 |
|
O2 .1859 .0664 .4094 .0217 .0274 .0316 .0026 .0039 -.0007 |
|
O3 .1019 .2904 .1194 .0198 .0257 .0322 .0031 .0079 .0033 |
|
|
| 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, |
|
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 |
|
_database_code_amcsd 0001360 |
|
6.530 8.677 7.048 90 113.91 90 C2/c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 .1669 .75 .0016 .0001 .0194 0 -.0033 0 |
|
Ti 0 .5 0 .0039 .0053 .0144 -.0001 .0018 .0049 |
|
Si 0 .1835 .25 .0023 .0010 .0024 0 .0016 0 |
|
O1 0 .5725 .25 .0070 .0018 .0001 0 .0000 0 |
|
O2 .1877 .0668 .4115 .0007 .0054 .0065 -.0009 .0000 .0010 |
|
O3 .1034 .2904 .1186 .0032 .0019 .0059 .0012 .0023 .0015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #25 from Guanajuato |
|
Note: U(1,2) of WatB/NaB changed to match symmetry constraints |
|
_database_code_amcsd 0001415 |
|
10.410 10.410 13.845 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) |
|
CaA 1/3 2/3 .2437 .5 .0189 |
|
NaB 1/3 2/3 .0404 .047 0.0685 0.0685 0.0695 .03425 0 0 |
|
WatB 1/3 2/3 .0404 .167 0.0685 0.0685 0.0695 .03425 0 0 |
|
KC 0 0 .25 0.0206 0.0206 0.0204 0.0103 0 0 |
|
Si1 .08239 .33642 .11217 0.0100 0.0117 0.0067 0.0053 -.0005 -.0008 |
|
Al2 0 .5 .25 .27 0.0110 0.0101 0.0074 0.0055 0 0 |
|
Be2 0 .5 .25 .73 0.0110 0.0101 0.0074 0.0055 0 0 |
|
O1 .0954 .3835 0 0.0290 0.0222 0.0071 0.0128 0 0 |
|
O2 .1957 .2761 .1342 0.0178 0.0244 0.0160 0.0146 -.0017 -.0029 |
|
O3 .1160 .4730 .1804 0.0145 0.0138 0.0104 0.0074 -.0003 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #33 from Tittling |
|
Note: U(1,2) of WatB/NaB/KC changed to match symmetry constraints |
|
_database_code_amcsd 0001416 |
|
10.404 10.404 13.825 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) |
|
CaA 1/3 2/3 .2410 .492 .0154 |
|
YA 1/3 2/3 .2410 .008 .0154 |
|
NaB 1/3 2/3 .0349 .060 0.0427 0.0427 0.0900 .02135 0 0 |
|
WatB 1/3 2/3 .0349 .180 0.0427 0.0427 0.0900 .02135 0 0 |
|
KC 0 0 .25 0.0183 0.0183 0.0204 .00915 0 0 |
|
Si1 .08168 .33625 .11257 0.0087 0.0103 0.0073 0.0047 -.0003 -.0007 |
|
Al2 0 .5 .25 .243 0.0098 0.0093 0.0081 0.0049 0 0 |
|
Be2 0 .5 .25 .757 0.0098 0.0093 0.0081 0.0049 0 0 |
|
O1 .0946 .3830 0 0.0298 0.0208 0.0068 0.0129 0 0 |
|
O2 .1951 .2759 .1340 0.0169 0.0230 0.0162 0.0145 -.0022 -.0024 |
|
O3 .1154 .4729 .1804 0.0131 0.0125 0.0112 0.0070 -.0006 -.0024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #35 from east Siberia |
|
Note: U(1,2) of WatB/NaB changed to match symmetry constraints |
|
_database_code_amcsd 0001417 |
|
10.415 10.415 13.763 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) |
|
CaA 1/3 2/3 .2372 .5 .0159 |
|
WatB 1/3 2/3 .0250 .230 0.0361 0.0361 0.1214 .01805 0 0 |
|
NaB 1/3 2/3 .0250 .112 0.0361 0.0361 0.1214 .01805 0 0 |
|
KC 0 0 .25 0.0186 0.0186 0.0196 0.0093 0 0 |
|
Si1 .07988 .33542 .11324 0.0095 0.0112 0.0069 0.0052 -.0006 -.0011 |
|
Al2 0 .5 .25 .18 0.0080 0.0079 0.0083 0.0040 0 0 |
|
Be2 0 .5 .25 .82 0.0080 0.0079 0.0083 0.0040 0 0 |
|
O1 .0929 .3822 0 0.0332 0.0234 0.0073 0.0146 0 0 |
|
O2 .1939 .2758 .1347 0.0190 0.0256 0.0172 0.0159 -.0033 -.0045 |
|
O3 .1142 .4727 .1807 0.0157 0.0132 0.0112 0.0082 -.0002 -.0030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #30 from Rossing |
|
_database_code_amcsd 0001418 |
|
10.396 10.396 13.781 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) |
|
CaA 1/3 2/3 .2390 .5 .0141 |
|
WatB 1/3 2/3 .0298 .235 0.0548 0.0548 0.0927 0.0274 0 0 |
|
NaB 1/3 2/3 .0298 .087 0.0548 0.0548 0.0927 0.0274 0 0 |
|
KC 0 0 .25 0.0172 0.0172 0.0207 0.0086 0 0 |
|
Si1 .0811 .3363 .1127 0.0075 0.0095 0.0074 0.0043 -.0005 -.0011 |
|
Al2 0 .5 .25 .217 0.0094 0.0048 0.0093 0.0047 0 0 |
|
Be2 0 .5 .25 .783 0.0094 0.0048 0.0093 0.0047 0 0 |
|
O1 .0940 .3837 0 0.0330 0.0225 0.0067 0.0155 0 0 |
|
O2 .1949 .2759 .1342 0.0159 0.0235 0.0188 0.0146 -.0034 -.0046 |
|
O3 .1147 .4733 .1809 0.0120 0.0110 0.0098 0.0060 -.0006 -.0023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #36 from Jaguaracu |
|
_database_code_amcsd 0001419 |
|
10.342 10.342 13.777 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) |
|
CaA 1/3 2/3 .23572 .383 .0046 |
|
YA 1/3 2/3 .23572 .117 .0046 |
|
NaB 1/3 2/3 .0499 .012 0.0578 0.0578 0.0649 0.0289 0 0 |
|
KC 0 0 .25 0.0182 0.0182 0.0216 0.0091 0 0 |
|
Si1 .08132 .33844 .11249 0.0077 0.0107 0.0078 0.0047 -.0004 -.0013 |
|
Al2 0 .5 .25 .160 0.0104 0.0105 0.0083 0.0052 0 0 |
|
Be3 0 .5 .25 .840 0.0104 0.0105 0.0083 0.0052 0 0 |
|
O1 .0946 .3873 0 0.0319 0.0206 0.0080 0.0123 0 0 |
|
O2 .1959 .2779 .1333 0.0168 0.0244 0.0197 0.0154 -.0036 -.0052 |
|
O3 .1158 .4751 .1821 0.0118 0.0129 0.0113 0.0065 0.0005 -.0028 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Milarite |
|
Hawthorne F C, Kimata M, Cerny P, Ball N A, Rossman G R, Grice J D |
|
American Mineralogist 76 (1991) 1836-1856 |
|
The crystal chemistry of the milarite-group minerals |
|
sample #37 from Strange Lake |
|
_database_code_amcsd 0001420 |
|
10.340 10.340 13.758 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) |
|
CaA 1/3 2/3 .2314 .345 .0084 |
|
YA 1/3 2/3 .2314 .155 .0084 |
|
NaB 1/3 2/3 .050 .005 0.0238 0.0238 0.0327 0.0119 0 0 |
|
KC 0 0 .25 0.0172 0.0172 0.0197 0.0086 0 0 |
|
Si1 .08085 .3380 .11262 0.0069 0.0095 0.0051 0.0041 -.0002 -.0011 |
|
Al2 0 .5 .25 .12 0.0058 0.0048 0.0032 0.0029 0 0 |
|
Be2 0 .5 .25 .88 0.0058 0.0048 0.0032 0.0029 0 0 |
|
O1 .0941 .3872 0 0.0315 0.0203 0.0042 0.0129 0 0 |
|
O2 .1959 .2776 .1327 0.0156 0.0234 0.0175 0.0157 -.0037 -.0044 |
|
O3 .1155 .4747 .1822 0.0108 0.0112 0.0088 0.0069 -.0002 -.0027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: I |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005270 |
|
8.603 13.036 7.174 90 116.03 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2869 0 .1383 .0203 .0393 .0296 0 .0100 0 |
|
SiT1 .0100 .18584 .2239 .75 .0121 .0121 .0121 .0000 .0053 .0000 |
|
AlT1 .0100 .18584 .2239 .25 .0121 .0121 .0121 .0000 .0053 .0000 |
|
SiT2 .7108 .11828 .3442 .75 .0119 .0119 .0119 .0000 .0052 .0000 |
|
AlT2 .7108 .11828 .3442 .25 .0119 .0119 .0119 .0000 .0052 .0000 |
|
OA1 0 .1476 0 .0316 .0211 .0163 0 .0136 0 |
|
OA2 .6396 0 .2839 .0189 .0180 .0232 0 .0049 0 |
|
OB .8301 .1486 .2264 .0225 .0332 .0263 -.0058 .0147 .0003 |
|
OC .0361 .3103 .2572 .0192 .0203 .0214 -.0025 .0093 -.0018 |
|
OD .1782 .1272 .4026 .0227 .0236 .0160 .0027 .0053 .0013 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: II |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005271 |
|
8.608 13.041 7.180 90 115.98 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2868 0 .1383 .0231 .0351 .0305 0 .0106 0 |
|
SiT1 .0100 .18569 .2237 .73 .0127 .0127 .0127 .0000 .0056 .0000 |
|
AlT1 .0100 .18569 .2237 .27 .0127 .0127 .0127 .0000 .0056 .0000 |
|
SiT2 .7108 .11824 .3442 .77 .0122 .0122 .0122 .0000 .0054 .0000 |
|
AlT2 .7108 .11824 .3442 .23 .0122 .0122 .0122 .0000 .0054 .0000 |
|
OA1 0 .1475 0 .0352 .0185 .0173 0 .0146 0 |
|
OA2 .6393 0 .2841 .0196 .0148 .0245 0 .0037 0 |
|
OB .8301 .1482 .2268 .0257 .0291 .0261 -.0038 .0147 .0011 |
|
OC .0363 .3107 .2579 .0229 .0143 .0236 -.0021 .0109 -.0023 |
|
OD .1785 .1272 .4036 .0257 .0192 .0173 .0019 .0078 .0011 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: III |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005272 |
|
8.611 13.046 7.175 90 116.01 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2865 0 .1382 .0207 .0388 .0298 0 .0093 0 |
|
SiT1 .0100 .18572 .2238 .73 .0129 .0129 .0129 .0000 .0057 .0000 |
|
AlT1 .0100 .18572 .2238 .27 .0129 .0129 .0129 .0000 .0057 .0000 |
|
SiT2 .7107 .11825 .3442 .77 .0127 .0127 .0127 .0000 .0056 .0000 |
|
AlT2 .7107 .11825 .3442 .23 .0127 .0127 .0127 .0000 .0056 .0000 |
|
OA1 0 .1474 0 .0298 .0228 .0171 0 .0114 0 |
|
OA2 .6398 0 .2850 .0192 .0176 .0235 0 .0044 0 |
|
OB .8299 .1482 .2265 .0218 .0351 .0259 -.0043 .0135 .0001 |
|
OC .0362 .3109 .2576 .0193 .0199 .0219 -.0028 .0086 -.0029 |
|
OD .1788 .1268 .4035 .0233 .0231 .0168 .0023 .0051 .0012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Sanidine |
|
Ferguson R B, Ball N A, Cerny P |
|
The Canadian Mineralogist 29 (1991) 543-552 |
|
Structure refinement of an adularian end-member high sanidine from the |
|
Buck Claim Pegmatite, Bernic Lake, Manitoba |
|
Sample: IV |
|
Locality: Buck Claim Pegmatite, Bernic Lake, Manitoba, Canada |
|
Note: variety adularia |
|
_database_code_amcsd 0005273 |
|
8.606 13.017 7.185 90 115.97 90 C2/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K .2864 0 .1384 .0201 .0351 .0288 0 .0093 0 |
|
SiT1 .0098 .18558 .2239 .70 .0118 .0118 .0118 .0000 .0052 0 |
|
AlT1 .0098 .18558 .2239 .30 .0118 .0118 .0118 .0000 .0000 .0000 |
|
SiT2 .7106 .11816 .3444 .80 .0110 .0110 .0110 .0000 .0048 .0000 |
|
AlT2 .7106 .11816 .3444 .20 .0110 .0110 .0110 .0000 .0048 .0000 |
|
OA1 0 .1470 0 .0300 .0181 .01183 0 .0132 0 |
|
OA2 .6392 0 .2844 .0184 .0149 .0241 0 .0042 0 |
|
OB .8293 .1479 .2267 .0224 .0318 .0236 -.0032 .0138 .0011 |
|
OC .0362 .3112 .2581 .0198 .0168 .0212 -.0028 .0093 -.0026 |
|
OD .1788 .1268 .4046 .0224 .0213 .0136 .0022 .0044 .0014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Oftedalite |
| |
Cooper M A, Hawthorne F C, Ball N A, Cerny P, Kristiansen R |
|
The Canadian Mineralogist 44 (2006) 943-949 |
|
Oftedalite, (Sc,Ca,Mn2+)2 K (Be,Al)3 Si12 O30, a new member of the milarite |
|
group from the Heftetjern pegmatite, Tordal, Norway: description and crystal |
|
structure |
|
Locality: Heftetjern pegmatite, Tordal, Norway |
|
_database_code_amcsd 0006096 |
|
10.097 10.097 13.991 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) |
|
KC 0 0 .25 .0204 .0175 .0175 .026 .0087 0 0 |
|
ScA 1/3 2/3 .25 .42 .0090 .0070 .0070 .0131 .0035 0 0 |
|
CaA 1/3 2/3 .25 .515 .0090 .0070 .0070 .0131 .0035 0 0 |
|
MnA 1/3 2/3 .25 .045 .0090 .0070 .0070 .0131 .0035 0 0 |
|
YA 1/3 2/3 .25 .005 .0090 .0070 .0070 .0131 .0035 0 0 |
|
Fe2+A 1/3 2/3 .25 .015 .0090 .0070 .0070 .0131 .0035 0 0 |
|
BeT2 0 .5 .25 .953 .009 .010 .009 .008 .005 0 0 |
|
AlT2 0 .5 .25 .047 .009 .010 .009 .008 .005 0 0 |
|
SiT1 .0884 .3466 .10937 .0076 .0058 .0057 .0110 .0027 -.0011 -.0024 |
|
O1 .1044 .4005 0 .014 .021 .017 .005 .011 0 0 |
|
O2 .2030 .2818 .1300 .022 .023 .028 .028 .023 -.003 -.002 |
|
O3 .1216 .4817 .1816 .016 .023 .013 .015 .012 -.001 -.004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vlasovite |
|
Sokolova E, Hawthorne F C, Ball N A, Mitchell R H, Della Ventura G |
|
The Canadian Mineralogist 44 (2006) 1349-1356 |
|
Vlasovite, Na2Zr(Si4O11), from the Kipawa alkaline complex, Quebec, Canada: |
|
Crystal-structure refinement and infrared spectroscopy |
|
Locality: Kipawa alkaline complex, Quebec, Canada |
|
_database_code_amcsd 0006128 |
|
11.0390 10.0980 8.5677 90 100.313 90 C2/c |
|
atom x y z Uiso occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na1 0 .07593 .75 .0304 .0406 .0229 .0308 0 .0151 0 |
|
Na2A 0 .3985 .75 .0448 .82 .0265 .0312 .068 0 -.0140 0 |
|
Na2B .9851 .4308 .834 .0448 .09 .0265 .0312 .068 0 -.0140 0 |
|
Zr .25 .25 0 .01173 .01314 .01159 .01088 .00069 .00323 -.00015 |
|
Si1 .26448 .07231 .63875 .01306 .0143 .0123 .0126 .00067 .00227 -.00110 |
|
Si2 .04996 .21676 .42721 .01386 .0120 .0161 .0135 .00001 .00238 -.00019 |
|
O1 0 .16001 .25 .0207 .0265 .0209 .0133 0 -.0001 0 |
|
O2 .14362 .10274 .50471 .0291 .0260 .0284 .0281 .0125 -.0083 -.0041 |
|
O3 .11547 .35857 .4155 .0291 .0286 .0220 .0411 -.0104 .0182 -.0070 |
|
O4 .05651 .23057 .97038 .0200 .0156 .0249 .0206 .0001 .0065 .0016 |
|
O5 .23987 .13443 .80125 .0244 .0384 .0192 .0173 .0006 .0091 -.0052 |
|
O6 .28874 .08336 .14471 .0179 .0225 .0128 .0180 -.0014 .0022 .0019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Georgerobinsonite |
| |
Cooper M A, Ball N A, Hawthorne F C, Paar W H, Roberts A C, Moffatt E |
| |
The Canadian Mineralogist 49 (2011) 865-876 |
|
Georgerobinsonite, Pb4(CrO4)2(OH)2FCl, a new chromate mineral from the |
|
Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona: description and crystal structure |
|
Locality: Mammoth-St. Anthony mine, Tiger, Pinal County, Arizona, USA |
|
_database_code_amcsd 0018387 |
|
7.6256 11.6081 6.8961 90 90 90 *Pmmn |
|
.25 .25 0 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb(1) .25 .59690 .12642 .02183 .0256 .0233 .0166 0 0 -.0031 |
|
Pb(2) .50242 .25 .41670 .02025 .0147 .0239 .0221 0 -.00089 0 |
|
Cr .25 .49812 .6485 .0129 .0134 .0135 .0117 0 0 -.0015 |
|
Cl .25 .2284 .0720 .5 .0217 |
|
F .75 .25 .1327 .027 .035 .034 .011 0 0 0 |
|
O(1) .4226 .5121 .7804 .0264 .023 .033 .023 .006 -.003 -.006 |
|
O(2) .25 .6070 .4931 .0232 .028 .021 .021 0 0 -.000 |
|
O(3) .25 .3763 .5289 .0235 .023 .016 .032 0 0 -.003 |
|
Oh4 .4388 .75 .2306 .0166 .014 .019 .016 0 -.001 0 |
|
H .550 .75 .159 .02 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Groatite |
|
Cooper M A, Hawthorne F C, Ball N A, Ramik R A, Roberts A C |
| |
The Canadian Mineralogist 47 (2009) 1225-1235 |
|
Groatite, NaCaMn2(PO4)[PO3(OH)]2, a new mineral species of the alluaudite group |
|
from the Tanco Pegmatite, Bernic Lake, Manitoba, Canada: Description and |
|
crystal structure |
|
Locality: Tanco Pegmatite, Bernic Lake, Manitoba, Canada |
|
_database_code_amcsd 0006298 |
|
12.5435 12.4324 6.7121 90 115.332 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) |
|
NaA2 0 -.0439 .25 .0284 .0196 .0455 .0152 0 .0029 0 |
|
CaM1 0 .28883 .25 .0119 .0116 .0098 .0155 0 .0070 0 |
|
MnM2 .28243 .66313 .36073 .01008 .0111 .0080 .0112 .0001 .0049 .0002 |
|
PT1 0 .68999 .25 .0085 .0090 .0078 .0081 0 .0031 0 |
|
PT2 .21416 .89604 .11515 .0089 .0104 .0070 .0091 .0000 .0041 .0000 |
|
O1 .4548 .7384 .5439 .0119 .0117 .0132 .0094 .0002 .0032 -.0019 |
|
O2 .0980 .6176 .2399 .0136 .0111 .0094 .0198 .0006 .0062 -.0009 |
|
O3 .3403 .6683 .0986 .0129 .0161 .0117 .0114 -.0018 .0064 -.0003 |
|
Oh4 .1528 .4220 .3401 .0144 .0121 .0085 .0226 .0023 .0074 .0011 |
|
O5 .2178 .8289 .3081 .0115 .0105 .0115 .0110 .0010 .0032 .0005 |
|
O6 .3501 .5020 .4042 .0127 .0120 .0093 .0163 -.0006 .0057 .0020 |
|
H .128 .4970 .305 .07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-sodic-ferropedrizite |
|
Oberti R, Boiocchi M, Ball N A, Hawthorne F C |
| |
Mineralogical Magazine 73 (2009) 487-494 |
|
Fluoro-sodic-ferropedrizite, NaLi2(Fe2+2Al2Li)Si8O22F2, a new mineral of the amphibole |
|
group from the Sutlug River, Tuva Republic, Russia: description and crystal structure |
|
Locality: Sutlug River, Tuva Republic, Russia |
|
_database_code_amcsd 0017596 |
|
9.3720 17.6312 5.2732 90 102.247 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaA 0 .5 0 .03 3.28 .192 .009 .346 0 .219 0 |
|
NaAm .0715 .5 .1452 .32 2.37 .102 .015 .233 0 .114 0 |
|
LiM4 0 .2571 .5 .95 1.59 .040 .020 .095 0 .024 0 |
|
NaM4 0 .2571 .5 .03 1.59 .040 .020 .095 0 .024 0 |
|
CaM4 0 .2571 .5 .02 1.59 .040 .020 .095 0 .024 0 |
|
MgM1 0 .0894 .5 .55 .54 .018 .005 .049 0 .011 0 |
|
FeM1 0 .0894 .5 .44 .54 .018 .005 .049 0 .011 0 |
|
ZnM1 0 .0894 .5 .01 .54 .018 .005 .049 0 .011 0 |
|
AlM2 0 .1794 0 .99 .42 .011 .003 .043 0 .005 0 |
|
FeM2 0 .1794 0 .01 .42 .011 .003 .043 0 .005 0 |
|
LiM3 0 0 0 .66 .33 .014 .002 .028 0 0 0 |
|
FeM3 0 0 0 .26 .33 .014 .002 .028 0 0 0 |
|
MnM3 0 0 0 .08 .33 .014 .002 .028 0 0 0 |
|
SiT1 .2844 .0879 .2787 .35 .010 .003 .035 0 .004 0 |
|
SiT2 .2974 .1738 .7919 .37 .010 .003 .034 -.001 .004 -.001 |
|
O1 .1088 .0943 .1986 .50 .012 .004 .055 0 .006 0 |
|
O2 .1198 .1750 .7416 .56 .013 .006 .052 0 .006 1 |
|
OH3 .1173 0 .6948 .49 .93 .026 .007 .101 0 .007 0 |
|
F3 .195 0 .730 .51 .48 |
|
O4 .3773 .2532 .7914 .68 .020 .004 .077 -.004 .006 0 |
|
O5 .3579 .1290 .0648 .77 .016 .009 .064 0 .009 .013 |
|
O6 .3462 .1234 .5626 .85 .016 .010 .065 .002 .002 -.012 |
|
O7 .3367 0 .2875 .81 .020 .003 .131 0 .015 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-aluminoleakeite |
|
Oberti R, Camara F, Hawthorne F C, Ball N A |
| |
Mineralogical Magazine 73 (2009) 817-824 |
|
Fluoro-aluminoleakeite, NaNa2(Mg2Al2Li)Si8O22F2, a new mineral of the |
|
amphibole group from Norra Karr, Sweden: description and crystal structure |
|
Locality: Norra Karr, Granna, Jonkoping, Smaland, Sweden |
|
_database_code_amcsd 0014595 |
|
9.7043 17.7341 5.2833 90 104.067 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaAm .0453 .5 .0969 .57 2.50 .0093 .0015 .0277 0 .0103 0 |
|
KAm .0453 .5 .0969 .43 2.50 .0093 .0015 .0277 0 .0103 0 |
|
NaM4 0 .2768 .5 .99 1.07 .0035 .0007 .0123 0 .0035 0 |
|
CaM4 0 .2768 .5 .01 1.07 .0035 .0007 .0123 0 .0035 0 |
|
MgM1 0 .0875 .5 .88 .54 .0017 .0004 .0046 0 .0007 0 |
|
Fe2+M1 0 .0875 .5 .10 .54 .0017 .0004 .0046 0 .0007 0 |
|
ZnM1 0 .0875 .5 .02 .54 .0017 .0004 .0046 0 .0007 0 |
|
AlM2 0 .1792 0 .57 .46 .0013 .0004 .0043 0 .0003 0 |
|
Fe3+M2 0 .1792 0 .38 .46 .0013 .0004 .0043 0 .0003 0 |
|
Fe2+M2 0 .1792 0 .04 .46 .0013 .0004 .0043 0 .0003 0 |
|
TiM2 0 .1792 0 .01 .46 .0013 .0004 .0043 0 .0003 0 |
|
LiM3 0 0 0 .91 .94 .0029 .0006 .0093 0 .0006 0 |
|
MnM3 0 0 0 .09 .94 .0029 .0006 .0093 0 .0006 0 |
|
SiT1 .2773 .0871 .2948 .99 .38 .0012 .0003 .0034 -.0001 .0002 -.0001 |
|
AlT1 .2773 .0871 .2948 .01 .38 .0012 .0003 .0034 -.0001 .0002 -.0001 |
|
SiT2 .2895 .1725 .8068 .42 .0012 .0003 .0034 -.0001 .0002 0 |
|
O1 .1079 .0930 .2106 .62 .0013 .0006 .0055 -.0001 .0004 -.0001 |
|
O2 .1177 .1711 .7415 .60 .0014 .0005 .0057 .0001 .0001 0 |
|
F3 .1138 0 .6958 .70 .92 .0025 .0006 .0101 0 .0002 0 |
|
O3 .1138 0 .6958 .30 .92 .0025 .0006 .0101 0 .0002 0 |
|
O4 .3664 .2517 .8066 .74 .0028 .0004 .0069 -.0003 .0014 -.0002 |
|
O5 .3519 .1290 .0882 .66 .0015 .0007 .0052 -.0001 .0003 .0007 |
|
O6 .3419 .1206 .5856 .68 .0019 .0007 .0048 0 .0003 -.0006 |
|
O7 .3321 0 .3016 .86 .0025 .0004 .0113 0 .0008 0 |
|
H .1891 0 .7501 .30 1.00 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferroleakite |
| |
Camara F, Hawthorne F C, Ball N A, Bekenova G, Stepanov A V, Kotelnikov P E |
| |
Mineralogical Magazine 74 (2010) 521-528 |
|
Fluoroleakeite, NaNa2(Mg2Fe3+2Li)Si8O22F2, a new mineral of the amphibole group |
|
from the Verkhnee Espe deposit, Akjailyautas Mountains, Eastern Kazakhstan |
|
District, Kazakhstan: description and crystal structure |
|
Locality: Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan |
|
_database_code_amcsd 0015898 |
|
9.8927 17.9257 5.2969 90 103.990 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
KA .0307 .5 .0681 .185 .0502 .0696 .0310 .0720 0 .0603 0 |
|
NaA .0307 .5 .0681 .315 .0502 .0696 .0310 .0720 0 .0603 0 |
|
NaM4 0 .27730 .5 .99 .0181 .0219 .0143 .0220 0 .0129 0 |
|
CaM4 0 .27730 .5 .01 .0181 .0219 .0143 .0220 0 .0129 0 |
|
MgM1 0 .08850 .5 .615 .00953 .01029 .01067 .00812 0 .00320 0 |
|
Fe2+M1 0 .08850 .5 .315 .00953 .01029 .01067 .00812 0 .00320 0 |
|
TiM1 0 .08850 .5 .070 .00953 .01029 .01067 .00812 0 .00320 0 |
|
Fe3+M2 0 .18135 0 .850 .00753 .00769 .00761 .00746 0 .00214 0 |
|
AlM2 0 .18135 0 .020 .00753 .00769 .00761 .00746 0 .00214 0 |
|
MgM2 0 .18135 0 .100 .00753 .00769 .00761 .00746 0 .00214 0 |
|
Fe2+M2 0 .18135 0 .030 .00753 .00769 .00761 .00746 0 .00214 0 |
|
LiM3 0 0 0 .66 .01039 .0130 .0084 .0093 0 .0015 0 |
|
Mn2+M3 0 0 0 .26 .01039 .0130 .0084 .0093 0 .0015 0 |
|
Fe2+M3 0 0 0 .08 .01039 .0130 .0084 .0093 0 .0015 0 |
|
SiT1 .27887 .08582 .29429 .983 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013 |
|
AlT1 .27887 .08582 .29429 .018 .00661 .00766 .00623 .00587 -.00038 .00148 -.00013 |
|
SiT2 .28871 .17057 .80265 .00686 .00769 .00703 .00603 -.00109 .00198 -.00028 |
|
O1 .11078 .09014 .21362 .00991 .0076 .0127 .0095 -.00075 .00207 .00002 |
|
O2 .11920 .16992 .73373 .00944 .0082 .0110 .0089 -.00027 .00150 -.00015 |
|
F3 .10913 0 .70342 .78 .0151 .0154 .0129 .0162 0 .0022 0 |
|
OH3 .10913 0 .70342 .08 .0151 .0154 .0129 .0162 0 .0022 0 |
|
O3 .10913 0 .70342 .14 .0151 .0154 .0129 .0162 0 .0022 0 |
|
O4 .36339 .24943 .80227 .01171 .0156 .0085 .0120 -.0039 .0051 -.00113 |
|
O5 .34893 .12816 .08488 .01029 .0092 .0131 .0087 .00006 .00230 .00384 |
|
O6 .34229 .11962 .58347 .01056 .0104 .0130 .0082 .00027 .00213 -.00354 |
|
O7 .33426 0 .30020 .01284 .0148 .0064 .0167 0 .0027 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Davidlloydite |
| |
Hawthorne F C, Cooper M A, Abdu Y A, Ball N A, Back M E, Tait K T |
| |
Mineralogical Magazine 76 (2012) 45-57 |
|
Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral |
|
from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: |
|
description and crystal structure |
|
Locality: Tsumeb, Namibia |
|
_database_code_amcsd 0018665 |
|
5.9756 7.6002 5.4471 84.2892 90.4920 87.9958 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Zn1 0 .5 .5 .6 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
|
Cu1 0 .5 .5 .4 .01224 .01425 .01053 .01178 .00005 .00126 -.00034 |
|
Zn2 .23922 .10407 .81081 .01226 .01204 .01445 .01032 .00121 -.00006 -.00186 |
|
As .25896 .87032 .33696 .00916 .00945 .00940 .00869 .00002 .00025 -.00125 |
|
O1 .4813 .7644 .2259 .0153 .0119 .0140 .0204 .0007 .0037 -.0045 |
|
O2 .2996 .8972 .6354 .0146 .0200 .0144 .0096 .0007 -.0011 -.0027 |
|
O3 .0271 .7464 .3144 .0128 .0103 .0120 .0157 -.0014 -.0012 .0002 |
|
O4 .1952 .0630 .1674 .0145 .0209 .0116 .0105 .0015 -.0006 .0010 |
|
O5 .2229 .4010 .2726 .0181 .0253 .0134 .0155 .0009 .0037 -.0007 |
|
O6 .2711 .5420 .7834 .0208 .0190 .0162 .0270 -.0009 .0031 -.0008 |
|
H1 .211 .2762 .245 .039 |
|
H2 .232 .453 .101 .056 |
|
H3 .413 .481 .748 .058 |
|
H4 .325 .662 .791 .059 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Carlosbarbosaite |
| |
Atencio D, Roberts A C, Cooper M A, Menezes L A D, Coutinho J M V, |
|
Stirling J A R, Venance K E, Ball N A, Moffatt E, Chaves M L S C, |
|
Brandao P R G, Romano A W |
| |
Mineralogical Magazine 76 (2012) 75-90 |
|
Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl |
|
niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: |
|
description and crystal structure |
|
Locality: Jaguaracu, Minas Gerais, Brazil |
|
_database_code_amcsd 0018664 |
|
14.150 10.395 7.529 90 90 90 Cmcm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U .26634 .27203 .25 .72 .0343 .0279 .0507 .0244 -.0115 0 0 |
|
Nb .38296 .5 0 .40 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ta .38296 .5 0 .26 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Si .38296 .5 0 .13 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ti .38296 .5 0 .11 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Al .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Fe .38296 .5 0 .05 .0281 .0133 .0443 .0267 0 0 -.0001 |
|
Ca .5 .0127 .25 .28 .057 .055 .051 .066 0 0 0 |
|
Nd .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0 |
|
Ce .5 .0127 .25 .02 .057 .055 .051 .066 0 0 0 |
|
O(1) .3622 .1709 .25 .061 .097 .062 .023 -.047 0 0 |
|
O(2) .1633 .3780 .25 .047 .048 .058 .035 -.000 0 0 |
|
O(3) .3020 .3571 -.0398 .035 .026 .052 .027 -.015 -.003 .008 |
|
O(4) .3758 .4471 .25 .026 .022 .042 .015 -.001 0 0 |
|
OH .5 .6106 .0547 .033 .027 .051 .022 0 0 .003 |
|
Wat .5 .126 -.022 .096 .12 .10 .075 0 0 -.001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
