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Calcioaravaipaite |
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Kampf A R, Merlino S, Pasero M |
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American Mineralogist 88 (2003) 430-435 |
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Order-disorder approach to calcioaravaipaite, [PbCa2Al(F,OH)9]: |
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The crystal structure of the triclinic MDO polytype |
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_database_code_amcsd 0002987 |
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7.722 7.516 12.206 98.86 96.91 90.00 C-1 |
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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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Pb1 .74457 .52709 .10749 .0202 .0207 .0218 .0185 .0001 .0041 .0027 |
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Ca1 .3925 .6497 .6144 .0120 .0105 .0102 .0160 .0001 .0030 .0028 |
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Ca2 .8932 .6576 .6137 .0118 .0115 .0082 .0155 -.0009 .0017 .0013 |
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Al1 .2511 .5453 .1813 .0142 .013 .014 .018 -.0003 .003 .005 |
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F1 .0673 .5655 .2648 .017 .013 .020 .020 -.004 .006 .004 |
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F2 .8449 .8984 .2749 .021 .018 .028 .020 .003 .004 .005 |
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F3 .1484 .6981 .0948 .030 .016 .015 .023 .000 .002 -.006 |
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F4 .4319 .5265 .1002 .022 .030 .025 .035 .004 -.002 .013 |
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F5 .6474 .8513 .0930 .027 .013 .009 .014 -.001 .002 -.001 |
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F6 .3443 .7371 .2768 .019 .016 .010 .015 .002 .004 .000 |
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F7 .1273 .6210 .4991 .012 .019 .022 .027 .007 .004 .013 |
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F8 .6201 .6304 .5053 .014 .027 .015 .020 -.003 .004 .003 |
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F9 .6854 .5714 .2905 .021 .028 .021 .029 -.008 -.004 -.002 |
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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 (permalink) |
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Calcioaravaipaite |
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Kampf A R, Yang H, Downs R T, Pinch W W |
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American Mineralogist 96 (2011) 402-407 |
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The crystal structures and Raman spectra of aravaipaite and calcioaravaipaite |
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Locality: Grand Reef mine, Aravaipa mining district, Arizona, USA |
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_database_code_amcsd 0018321 |
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5.3815 5.3846 12.2034 91.364 101.110 91.525 P-1 |
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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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Pb .27238 .28211 .107209 .01678 .01998 .01783 .01279 .00242 .00367 -.00039 |
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Ca1 .04213 .75777 .61450 .00876 .0094 .0074 .0095 .00025 .0019 .00039 |
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Ca2 .44851 .73503 .38616 .00891 .0092 .0077 .0097 -.00027 .0016 .00065 |
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Al .20387 .20662 .81864 .00910 .0098 .0092 .0083 -.0003 .0017 .0006 |
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F1 .8481 .0489 .09603 .0234 .0285 .0199 .0233 .0002 .0080 .0075 |
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F2 .7419 .5504 .27419 .0165 .0189 .0136 .0195 .0030 .0087 .0071 |
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F3 .3698 .0017 .73490 .0141 .0152 .0125 .0154 .0030 .0045 .0003 |
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F4 .0419 .4057 .90021 .0180 .0219 .0186 .0147 .0060 .0058 -.0011 |
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F5 .9168 .1103 .72148 .0169 .0117 .0169 .0198 .0011 -.0025 -.0042 |
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F6 .5004 .2955 .90746 .0226 .0156 .0273 .0220 -.0029 -.0028 -.0032 |
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F7 .2517 .0076 .50112 .0118 .0122 .0098 .0136 .0012 .0024 .0011 |
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F8 .2503 .5117 .50560 .0116 .0120 .0103 .0130 -.0002 .0038 -.0002 |
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F9 .2567 .3857 .29105 .0154 .0185 .0154 .0126 -.0043 .0051 -.0035 |
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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 (permalink) |
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