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Wickenburgite |
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Lam A E, Groat L A |
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The Canadian Mineralogist 32 (1994) 525-532 |
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The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet |
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structure |
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Sample: UBC refinement |
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_database_code_amcsd 0005381 |
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8.560 8.560 20.190 90 90 120 P31c |
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atom x y z occ Uiso |
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Pb .2919 .2586 0 .012 |
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Ca 0 0 .1465 .022 |
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Al1 2/3 1/3 .4852 .97 .010 |
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Fe1 2/3 1/3 .4852 .03 .010 |
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Al2 1/3 2/3 .3678 .004 |
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Si1 2/3 1/3 .1339 .013 |
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Si2 0 0 .3731 .016 |
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Si3 2/3 1/3 .2889 .013 |
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Si4 1/3 2/3 .2022 .016 |
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Si5 .3871 .0591 .3782 .018 |
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Si6 .0618 .4121 .0982 .019 |
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O1 1/3 2/3 .280 .018 |
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O2 2/3 1/3 .214 .034 |
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O3 0 0 .456 .041 |
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O4 .145 .501 .172 .026 |
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O5 .489 .156 .107 .024 |
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O6 .512 .137 .316 .023 |
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O7 .134 .571 .043 .020 |
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O8 .197 .035 .346 .036 |
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O9 .087 .241 .075 .024 |
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H2O10 .229 .197 .221 .045 |
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O11 .453 .214 .435 .015 |
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O12 .505 .644 .400 .011 |
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| Download AMC data (View Text File)
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| |
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Wickenburgite |
|
Lam A E, Groat L A |
|
The Canadian Mineralogist 32 (1994) 525-532 |
|
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet |
|
structure |
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Sample: UMAN refinement |
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_database_code_amcsd 0005382 |
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8.546 8.546 20.168 90 90 120 P31c |
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atom x y z occ Uiso |
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Pb .2920 .2586 0 .011 |
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Ca 0 0 .1462 .013 |
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Al1 2/3 1/3 .4854 .81 .012 |
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Fe1 2/3 1/3 .4854 .19 .012 |
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Al2 1/3 2/3 .3633 .006 |
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Si1 2/3 1/3 .1306 .007 |
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Si2 0 0 .3749 .010 |
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Si3 2/3 1/3 .2875 .009 |
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Si4 1/3 2/3 .1983 .010 |
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Si5 .3833 .0599 .3760 .009 |
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Si6 .0596 .4139 .0965 .008 |
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O1 1/3 2/3 .278 .013 |
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O2 2/3 1/3 .209 .021 |
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O3 0 0 .455 .008 |
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O4 .150 .493 .169 .020 |
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O5 .487 .159 .105 .015 |
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O6 .519 .135 .314 .012 |
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O7 .126 .569 .041 .010 |
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O8 .191 .031 .347 .018 |
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O9 .083 .243 .075 .007 |
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H2O10 .229 .197 .218 .027 |
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O11 .447 .211 .436 .012 |
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O12 .509 .639 .397 .016 |
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| Download AMC data (View Text File)
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Dugganite |
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Lam A E, Groat L A, Ercit T S |
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The Canadian Mineralogist 36 (1998) 823-830 |
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The crystal structure of dugganite, Pb3Zn3TeAs2O14 |
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_database_code_amcsd 0005548 |
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8.460 8.460 5.206 90 90 120 P321 |
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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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Te 0 0 0 .0305 .0305 .0158 .0153 0 0 |
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As 1/3 2/3 .5294 .0237 .0237 .0369 .0119 0 0 |
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Pb .59472 0 0 .0359 .0380 .0303 .0190 .0010 .0020 |
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Zn .2466 0 .5 .0343 .0286 .0248 .0143 -.0007 -.0014 |
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O1 .122 .212 .217 .0325 .0363 .0247 .0109 .0043 -.0050 |
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O2 .467 .200 .339 .0502 .0671 .0398 .0048 .0178 -.0077 |
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O3 1/3 2/3 .239 .0407 .0407 .0668 .0203 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Choloalite |
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Lam A E, Groat L A, Grice J D, Ercit T S |
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The Canadian Mineralogist 37 (1999) 721-729 |
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The crystal structure of choloalite |
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_database_code_amcsd 0005603 |
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12.520 12.520 12.520 90 90 90 P4_132 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Te .0812 .4406 .3401 .0224 .0204 .0265 .0201 .0034 .0047 -.0005 |
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Cu .125 .2321 -.5179 .93 .0197 .0193 .0199 .0199 -.0011 .0011 .0091 |
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Sb .125 .2321 -.5179 .07 .0197 .0193 .0199 .0199 -.0011 .0011 .0091 |
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Pb1 .1927 .1927 .1927 .90 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073 |
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Ca1 .1927 .1927 .1927 .10 .0378 .0378 .0378 .0378 -.0073 -.0073 -.0073 |
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Pb2 3/8 3/8 3/8 .90 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076 |
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Ca2 3/8 3/8 3/8 .10 .0265 .0265 .0265 .0265 -.0076 -.0076 -.0076 |
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O1 .0261 .1205 .2682 .0413 |
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O2 .1759 .3274 .3738 .0232 |
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O3 .1857 .5200 .2613 .0248 |
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Cl 7/8 7/8 7/8 .92 .0548 .0548 .0548 .0548 .0024 .0024 .0024 |
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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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