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Wroewolfeite |
 |
Hawthorne F C, Groat L A |
 |
American Mineralogist 70 (1985) 1050-1055 |
|
The crystal structure of wroewolfeite, a mineral with |
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[Cu4(OH)6(SO4)(H2O)] sheets |
|
_database_code_amcsd 0001001 |
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6.045 5.646 14.337 90 93.39 90 Pc |
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atom x y z Uiso |
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Cu1 0 .3311 .25 .0091 |
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Cu2 .5020 .3212 .2501 .0101 |
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Cu3 -.2476 -.1682 .2428 .0102 |
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Cu4 .2474 .1734 -.2572 .0108 |
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S -.0798 .0358 .0352 .0143 |
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O1 -.0261 .0098 .1376 .014 |
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O2 .1279 .0012 -.0132 .025 |
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O3 -.1607 .2811 .0154 .018 |
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O4 -.2443 -.1331 .0052 .029 |
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OH5 .2525 .4991 .1932 .008 |
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OH6 .2523 .1401 .3052 .009 |
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OH7 .0063 -.2845 .3153 .009 |
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OH8 .7406 .5073 .1894 .006 |
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OH9 .7577 .1470 .3076 .011 |
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OH10 .4891 -.0581 .1753 .006 |
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Wat11 .5101 .6230 .3738 .021 |
|
Wat12 .2240 .4638 -.4964 .024 |
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|
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| |
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Lammerite |
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Hawthorne F C |
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American Mineralogist 71 (1986) 206-209 |
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Lammerite, Cu3(AsO4)2, a modulated close-packed structure |
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_database_code_amcsd 0001009 |
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5.079 11.611 5.394 90 111.72 90 P2_1/a |
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atom x y z Uiso |
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Cu1 0 .5 .5 .0125 |
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Cu2 .2462 .8367 .8563 .0148 |
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As -.1111 .8851 .2625 .0096 |
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O1 .1921 .9173 .2203 .013 |
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O2 -.0946 .8157 .5390 .015 |
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O3 .1717 .6871 .9904 .013 |
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O4 .2893 .9902 .7332 .012 |
|
|
| Download AMC data (View Text File)
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| |
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Ungemachite |
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Groat L A, Hawthorne F C |
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American Mineralogist 71 (1986) 826-829 |
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Structure of ungemachite, K3Na8Fe(SO4)6(NO3)2.6H2O, a mixed |
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sulfate-nitrate mineral |
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Note U(1,2) for N and Na1 have been altered to match symmetry constraints. |
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_database_code_amcsd 0001035 |
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10.898 10.898 24.989 90 90 120 R-3 |
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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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Fe 0 0 0 .0092 .0092 .0084 .0046 0 0 |
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S .34609 .17748 .27813 .0097 .0134 .0130 .0056 -.0018 -.0009 |
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N 1/3 2/3 .0951 .0215 .0215 .0245 .01075 0 0 |
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K .5 0 0 .0198 .0295 .0263 .0153 .0002 -.0027 |
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Na1 0 0 .1285 .0255 .0255 .0168 .01275 0 0 |
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Na2 .6440 .8170 .09069 .0248 .0216 .0238 .0119 -.0035 -.0016 |
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O1 .5046 .2737 .28304 .0091 .0283 .0163 .0049 -.0034 .0003 |
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O2 .2824 .1394 .33119 .0182 .0266 .0164 .0089 .0054 .0042 |
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O3 .2953 .2600 .24891 .0212 .0212 .0253 .0135 -.0049 .0019 |
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O4 .3212 .0515 .2485 .0301 .0202 .0277 .0152 -.0089 -.0118 |
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O5 .1200 -.1006 .1700 .0241 .0245 .0158 .0071 -.0012 .0023 |
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O6 .4016 .7990 .0951 .0285 .0165 .0552 .0073 -.0008 -.0004 |
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H5A .774 -.181 .192 .01 |
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H5B .772 -.066 .19 .01 |
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| Download AMC data (View Text File)
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| |
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Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
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American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
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(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
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Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
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Sample: ScPA-A5 |
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_database_code_amcsd 0001081 |
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9.9405 18.094 5.2986 90 105.364 90 C2/m |
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atom x y z occ Biso |
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O1 .117 .0935 .233 .8 |
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O2 .108 .1741 .712 .8 |
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OH3 .109 0 .713 .8 |
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O4 .352 .2495 .770 .8 |
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O5 .354 .1401 .119 1.1 |
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O6 .344 .1091 .638 1.1 |
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O7 .348 0 .290 1.2 |
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SiT1 .2824 .0820 .303 .75 .4 |
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AlT1 .2824 .0820 .303 .25 .4 |
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SiT2 .288 .1682 .811 .75 .4 |
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AlT2 .288 .1682 .811 .25 .4 |
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MgM1 0 .0865 .5 .6 |
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MgM2 0 .1751 0 .789 .6 |
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ScM2 0 .1751 0 .211 .6 |
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MgM3 0 0 0 .792 .6 |
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ScM3 0 0 0 .208 .6 |
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CaM4 0 .2811 .5 .9 |
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NaA 0 .5 0 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FPA-BUL |
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_database_code_amcsd 0001082 |
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9.8277 17.930 5.2931 90 105.168 90 C2/m |
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atom x y z occ Biso |
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O1 .119 .0868 .216 .8 |
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O2 .116 .1676 .740 .8 |
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F3 .106 0 .711 .8 |
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O4 .366 .2522 .782 .8 |
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O5 .357 .1380 .126 1.1 |
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O6 .341 .1091 .631 1.1 |
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O7 .348 0 .286 1.2 |
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SiT1 .2821 .0831 .309 .75 .4 |
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AlT1 .2821 .0831 .309 .25 .4 |
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SiT2 .2953 .1721 .809 .75 .4 |
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AlT2 .2953 .1721 .809 .25 .4 |
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MgM1 0 .0888 .5 .8 .6 |
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AlM1 0 .0888 .5 .2 .6 |
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MgM2 0 .1775 0 .8 .6 |
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AlM2 0 .1775 0 .2 .6 |
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MgM3 0 0 0 .8 .6 |
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AlM3 0 0 0 .2 .6 |
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CaM4 0 .2768 .5 .9 |
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NaA .024 .5 .057 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FCrPA-A3 |
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_database_code_amcsd 0001083 |
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9.8402 17.9800 5.2914 90 105.108 90 C2/m |
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atom x y z occ Biso |
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O1 .113 .0876 .212 .8 |
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O2 .114 .1703 .740 .8 |
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F3 .100 0 .714 .8 |
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O4 .359 .2498 .792 .8 |
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O5 .363 .1379 .134 1.1 |
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O6 .342 .1116 .622 1.1 |
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O7 .356 0 .295 1.2 |
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SiT1 .2817 .0824 .301 .75 .4 |
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AlT1 .2817 .0824 .301 .25 .4 |
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SiT2 .2924 .1703 .813 .75 .4 |
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AlT2 .2924 .1703 .813 .25 .4 |
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MgM1 0 .0879 .5 .92 .6 |
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CrM1 0 .0879 .5 .08 .6 |
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MgM2 0 .1767 0 .84 .6 |
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CrM2 0 .1767 0 .16 .6 |
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MgM3 0 0 0 .6 |
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CaM4 0 .2776 .5 .9 |
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NaA .031 .5 .072 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FGaPA-A3 |
|
_database_code_amcsd 0001084 |
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9.8600 17.9685 5.3027 90 105.198 90 C2/m |
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atom x y z occ Biso |
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O1 .118 .0896 .221 .8 |
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O2 .106 .1703 .730 .8 |
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F3 .101 0 .709 .8 |
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O4 .359 .2487 .790 .8 |
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O5 .350 .1377 .116 1.1 |
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O6 .346 .1093 .615 1.1 |
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O7 .344 0 .278 1.2 |
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SiT1 .2844 .0842 .307 .75 .4 |
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AlT1 .2844 .0842 .307 .25 .4 |
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SiT2 .2893 .1707 .809 .75 .4 |
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AlT2 .2893 .1707 .809 .25 .4 |
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MgM1 0 .0875 .5 .6 |
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MgM2 0 .1749 0 .9 .6 |
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GaM2 0 .1749 0 .1 .6 |
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MgM3 0 0 0 .962 .6 |
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GaM3 0 0 0 .038 .6 |
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CaM4 0 .2786 .5 .9 |
|
NaA .017 .5 .068 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Raudsepp M, Turnock A C, Hawthorne F C, Sherriff B L, Hartman J S |
|
American Mineralogist 72 (1987) 580-593 |
|
Characterization of synthetic pargasitic amphiboles |
|
(NaCa2Mg4M3+Si6Al2O22(OH,F)2; M3+ = Al,Cr,Ga,Sc,In) by infrared spectroscopy, |
|
Rietveld structure refinement, and 27Al, 29Si, and 19F MAS NMR spectroscopy |
|
Sample: FScPA-A3 |
|
_database_code_amcsd 0001085 |
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9.8852 18.1574 5.3186 90 105.213 90 C2/m |
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atom x y z occ Biso |
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O1 .1108 .0864 .219 .8 |
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O2 .1138 .1709 .724 .8 |
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F .1008 0 .711 .8 |
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O4 .3598 .2468 .788 .8 |
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O5 .3535 .1388 .122 1.1 |
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O6 .3447 .1140 .620 1.1 |
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O7 .353 0 .291 1.2 |
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SiT1 .2838 .0833 .304 .75 .4 |
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AlT1 .2838 .0833 .304 .25 .4 |
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SiT2 .2909 .1692 .8090 .75 .4 |
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AlT2 .2909 .1692 .8090 .25 .4 |
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MgM1 0 .0870 .5 .922 .6 |
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ScM1 0 .0870 .5 .078 .6 |
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MgM2 0 .1763 0 .597 .6 |
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ScM2 0 .1763 0 .403 .6 |
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MgM3 0 0 0 .6 |
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CaM4 0 .2791 .5 .9 |
|
NaA .029 .5 .068 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Eckermannite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FScEC-A3 |
|
_database_code_amcsd 0001115 |
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9.8384 18.0634 5.2926 90 103.650 90 C2/m |
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atom x y z occ Biso |
|
O1 .1151 .0877 .214 .8 |
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O2 .1159 .1673 .724 .8 |
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F3 .1068 0 .712 .8 |
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O4 .3609 .2481 .795 .8 |
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O5 .3490 .1269 .080 1.1 |
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O6 .3475 .1172 .590 1.1 |
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O7 .345 0 .300 1.2 |
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Si1 .2828 .0839 .2915 .4 |
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Si2 .2884 .1688 .7945 .4 |
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Mg1 0 .0865 .5 .974 .6 |
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Sc1 0 .0865 .5 .026 .6 |
|
Mg2 0 .1817 0 .573 .6 |
|
Sc2 0 .1817 0 .427 .6 |
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Mg3 0 0 0 .6 |
|
Na4 0 .2756 .5 .9 |
|
NaA .032 .5 .080 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Eckermannite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FInEC-A3 |
|
_database_code_amcsd 0001116 |
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9.8527 18.0966 5.2928 90 103.521 90 C2/m |
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atom x y z occ Biso |
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O1 .1188 .0844 .222 .8 |
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O2 .1164 .1657 .721 .8 |
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F3 .106 0 .716 .8 |
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O4 .3575 .2453 .789 .8 |
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O5 .3548 .1261 .083 1.1 |
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O6 .3439 .1173 .586 1.1 |
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O7 .347 0 .292 1.2 |
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Si1 .2848 .0840 .2905 .4 |
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Si2 .2880 .1678 .7957 .4 |
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Mg1 0 .0846 .5 .6 |
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Mg2 0 .1822 0 .519 .6 |
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In2 0 .1822 0 .481 .6 |
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Mg3 0 0 0 .6 |
|
Na4 0 .2759 .5 .9 |
|
NaA .029 .5 .077 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nyboite |
|
Raudsepp M, Turnock A C, Hawthorne F C |
|
American Mineralogist 72 (1987) 959-964 |
|
Characterization of cation ordering in synthetic scandium-fluor-eckermannite, |
|
indium-fluor-eckermannite, and scandium-fluor-nyboite by Rietveld structure |
|
refinement |
|
Sample: FScNY-A3 |
|
_database_code_amcsd 0001117 |
|
9.8425 18.157 5.3381 90 103.979 90 C2/m |
|
atom x y z occ Biso |
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O1 .108 .0906 .210 .8 |
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O2 .121 .1662 .728 .8 |
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F3 .101 0 .710 .8 |
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O4 .361 .2475 .788 .8 |
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O5 .347 .1326 .085 1.1 |
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O6 .343 .1194 .593 1.1 |
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O7 .342 0 .300 1.2 |
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Si1 .2842 .0838 .290 .75 .4 |
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Al1 .2842 .0838 .290 .25 .4 |
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Si2 .2926 .1679 .800 .4 |
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Mg1 0 .0876 .5 .6 |
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Mg2 0 .1801 0 .107 .6 |
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Sc2 0 .1801 0 .893 .6 |
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Mg3 0 0 0 .6 |
|
Na4 0 .2776 .5 .9 |
|
NaA .043 .5 .102 .5 2.3 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-47 |
|
_database_code_amcsd 0001320 |
|
6.713 7.708 7.0194 91.31 117.93 91.77 C-1 |
|
atom x y z Uiso |
|
P -.01605 .34212 .26653 .0041 |
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Al1 0 0 0 .0048 |
|
Al2 0 0 .5 .0046 |
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O1 -.3172 .0154 -.1592 .0066 |
|
O2 .2981 .0581 .5743 .0065 |
|
O3 .1013 -.2234 -.3897 .0063 |
|
O4 .0265 .2362 .1035 .0076 |
|
Oh .0471 .0890 -.2265 .0059 |
|
Li .0696 -.3202 .3101 .0172 |
|
H .183 .129 .848 .0100 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-43 |
|
_database_code_amcsd 0001321 |
|
6.713 7.711 7.0102 91.22 117.91 91.67 C-1 |
|
atom x y z occ Uiso |
|
P -.01576 .34196 .26542 .0052 |
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Al1 0 0 0 .0058 |
|
Al2 0 0 .5 .0056 |
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O1 -.3172 .0156 -.1579 .0080 |
|
O2 .2983 .0584 .5758 .0079 |
|
O3 .1010 -.2236 -.3895 .0075 |
|
O4 .0266 .2357 .1026 .0086 |
|
Oh .0442 .0882 -.2278 .911 .0079 |
|
F .0442 .0882 -.2278 .089 .0079 |
|
Li1 .06 -.318 .285 .5 .0118 |
|
Li2 .08 -.322 .331 .5 .0118 |
|
H .178 .132 .850 .911 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample A-2 |
|
_database_code_amcsd 0001322 |
|
6.6984 7.710 6.983 91.06 117.81 91.49 C-1 |
|
atom x y z occ Uiso |
|
P -.01538 .34136 .26351 .0054 |
|
Al1 0 0 0 .0058 |
|
Al2 0 0 .5 .0055 |
|
O1 -.3169 .0159 -.1551 .0084 |
|
O2 .2980 .0589 .5783 .0087 |
|
O3 .1004 -.2227 -.3879 .0079 |
|
O4 .0258 .2346 .0998 .0094 |
|
Oh .0391 .0871 -.2306 .706 .0088 |
|
F .0391 .0871 -.2306 .294 .0088 |
|
Li1 .05 -.33 .28 .5 .0222 |
|
Li2 .08 -.31 .32 .5 .0222 |
|
H .190 .129 .832 .706 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample A-1 |
|
_database_code_amcsd 0001323 |
|
6.6837 7.7080 6.9671 90.94 117.75 91.36 C-1 |
|
atom x y z occ Uiso |
|
P -.01496 .34095 .26173 .0059 |
|
Al1 0 0 0 .0060 |
|
Al2 0 0 .5 .0058 |
|
O1 -.3163 .0161 -.1523 .0087 |
|
O2 .2981 .0594 .5809 .0090 |
|
O3 .1001 -.2224 -.3868 .0080 |
|
O4 .0259 .2340 .0980 .0102 |
|
OH .0346 .0859 -.2329 .567 .0093 |
|
F .0346 .0859 -.2329 .433 .0093 |
|
Li1 .08 -.32 .28 .5 .0277 |
|
Li2 .05 -.32 .31 .5 .0277 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-46 |
|
_database_code_amcsd 0001324 |
|
6.6782 7.7159 6.949 90.82 117.66 91.22 C-1 |
|
atom x y z occ Uiso |
|
P -.01457 .34047 .26018 .0057 |
|
Al1 0 0 0 .0060 |
|
Al2 0 0 .5 .0057 |
|
O1 -.3160 .0166 -.1500 .0086 |
|
O2 .2984 .0597 .5829 .0090 |
|
O3 .0998 -.2222 -.3860 .0081 |
|
O4 .0260 .2332 .0964 .0101 |
|
OH .0304 .0850 -.2352 .5 .0092 |
|
F .0304 .0850 -.2352 .5 .0092 |
|
Li1 .05 -.315 .263 .5 .0251 |
|
Li2 .061 -.329 .310 .5 .0251 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Montebrasite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample M6116 |
|
_database_code_amcsd 0001325 |
|
6.644 7.744 6.910 90.35 117.33 91.01 C-1 |
|
atom x y z occ Uiso |
|
P -.01308 .3319 .25580 .0054 |
|
Al1 0 0 0 .0056 |
|
Al2 0 0 .5 .0055 |
|
O1 -.3148 .0192 -.1426 .0084 |
|
O2 .2987 .0609 .5884 .0087 |
|
O3 .0995 -.2209 -.3830 .0076 |
|
O4 .0290 .2320 .0925 .0097 |
|
F .0191 .0824 -.2413 .0098 |
|
Li1 .050 -.320 .2403 .5 .0201 |
|
Li2 .0654 -.3239 .3070 .5 .0201 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Amblygonite |
|
Groat L A, Raudsepp M, Hawthorne F C, Ercit T S, Sherriff B L, Hartman J S |
|
American Mineralogist 75 (1990) 992-1008 |
|
The amblygonite-montebrasite series: Characterization by single-crystal |
|
structure refinement, infrared spectroscopy and multinuclear MAS-NMR |
|
spectroscopy |
|
sample AF-65 |
|
_database_code_amcsd 0001326 |
|
6.6452 7.733 6.9193 90.35 117.44 91.20 C-1 |
|
atom x y z occ Uiso |
|
P -.01328 .33910 .25586 .0056 |
|
Al1 0 0 0 .0061 |
|
Al2 0 0 .5 .0057 |
|
O1 -.3152 .0188 -.1425 .0087 |
|
O2 .2988 .0606 .5882 .0090 |
|
O3 .0995 -.2210 -.3827 .0082 |
|
O4 .0285 .2317 .0924 .0097 |
|
F .0194 .0828 -.2410 .881 .0102 |
|
OH .0194 .0828 -.2410 .119 .0102 |
|
Li1 .0376 -.3230 .242 .5 .0197 |
|
Li2 .051 -.324 .301 .5 .0197 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Nissonite |
|
Groat L A, Hawthorne F C |
|
American Mineralogist 75 (1990) 1170-1175 |
|
The crystal structure of nissonite |
|
_database_code_amcsd 0001329 |
|
22.523 5.015 10.506 90 99.62 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) |
|
Cu .24534 .1541 .36677 0.086 0.131 0.055 -0.023 -0.033 -0.016 |
|
P .3437 .1768 .2264 0.061 0.115 0.056 0.013 -0.043 0.002 |
|
Mg .1226 .1547 .4673 0.049 0.108 0.044 -0.010 -0.040 -0.001 |
|
O1 .3631 .103 .3702 0.177 0.167 0.059 0.059 -0.063 0.013 |
|
O2 .2770 .296 .2161 0.058 0.123 0.088 0.034 -0.023 0.005 |
|
O3 .3846 .388 .1833 0.083 0.129 0.122 -0.005 -0.019 0.035 |
|
O4 .3405 -.072 .1447 0.085 0.169 0.123 0.008 -0.038 -0.036 |
|
Oh .2136 .055 .5211 .007 |
|
OW1 .0866 -.138 .5790 0.127 0.176 0.131 -0.047 -0.047 -0.008 |
|
OW2 .0359 .288 .4132 0.059 0.355 0.263 0 -0.055 0 |
|
OW3 .5 .201 .25 0.090 0.292 0.388 0 -0.134 0 |
|
H .245 0 .578 .015 |
|
HW1a .105 0 .598 .015 |
|
HW1b .057 .015 .639 .015 |
|
HW2a .023 .434 .355 .015 |
|
HW2b 0 .237 .415 .015 |
|
HW3 .460 .268 .227 .015 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni100, CaNiSi2O6 |
|
_database_code_amcsd 0001333 |
|
9.7359 8.8932 5.2284 90 105.830 90 C2/c |
|
atom x y z Biso |
|
Ni1 0 .9087 .25 0.37 |
|
Ca2 0 .2983 .25 .635 |
|
Si .2866 .0924 .2252 .349 |
|
O1 .1157 .0849 .1403 0.51 |
|
O2 .3578 .2540 .3230 0.65 |
|
O3 .3503 .0203 .9921 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni80, CaNi.74Mg.26Si2O6 |
|
_database_code_amcsd 0001334 |
|
9.7372 8.8986 5.2313 90 105.826 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9095 .25 .74 0.37 |
|
Mg1 0 .9095 .25 .26 0.37 |
|
Ca2 0 .2985 .25 .635 |
|
Si .2867 .0938 .2389 .349 |
|
O1 .1153 .0860 .1453 0.51 |
|
O2 .3590 .2532 .3202 0.65 |
|
O3 .3505 .0184 .9901 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni50, CaNi.45Mg.55Si2O6 |
|
_database_code_amcsd 0001335 |
|
9.7390 8.9094 5.2375 90 105.848 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9079 .25 .45 0.37 |
|
Mg1 0 .9079 .25 .55 0.37 |
|
Ca2 0 .2994 .25 .635 |
|
Si .2865 .0934 .2283 .349 |
|
O1 .1150 .0874 .1439 0.51 |
|
O2 .3610 .2519 .3190 0.65 |
|
O3 .3514 .0178 .9961 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni25, CaNi.22Mg.78Si2O6 |
|
_database_code_amcsd 0001336 |
|
9.7393 8.9095 5.2418 90 105.850 90 C2/c |
|
atom x y z occ Biso |
|
Ni1 0 .9072 .25 .22 0.37 |
|
Mg1 0 .9072 .25 .78 0.37 |
|
Ca2 0 .3000 .25 .635 |
|
Si .2876 .0905 .2299 .349 |
|
O1 .1158 .0861 .1407 0.51 |
|
O2 .3633 .2488 .3218 0.65 |
|
O3 .3490 .0180 .9928 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Diopside |
|
Raudsepp M, Hawthorne F C, Turnock A C |
|
American Mineralogist 75 (1990) 1274-1281 |
|
Crystal chemistry of synthetic pyroxenes on the join CaNiSi2O6-CaMgSi2O6 |
|
(diopside): A Rietveld refinement study |
|
sample Ni0, CaMgSi2O6 |
|
_database_code_amcsd 0001337 |
|
9.7470 8.9235 5.2524 90 105.939 90 C2/c |
|
atom x y z Biso |
|
Mg1 0 .9071 .25 0.37 |
|
Ca2 0 .2995 .25 .635 |
|
Si .2857 .0943 .2312 .349 |
|
O1 .1144 .0900 .1420 0.51 |
|
O2 .3619 .2516 .3176 0.65 |
|
O3 .3499 .0185 .9974 0.56 |
|
|
| 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 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)
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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)
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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)
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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)
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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)
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View JMOL 3-D Structure
|
| |
|
Leakeite |
|
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 77 (1992) 1112-1115 |
|
Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the |
|
Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India |
|
_database_code_amcsd 0001541 |
|
9.822 17.836 5.286 90 104.37 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) |
|
O1 .1100 .0905 .2154 0.0013 0.0006 0.0081 -.0001 0.0005 -.0001 |
|
O2 .1184 .1685 .7284 0.0016 0.0006 0.0083 .0001 0.0006 0.0004 |
|
O3 .1110 0 .6985 0.0023 0.0005 0.0111 -.0004 0.0005 -.0001 |
|
O4 .3623 .2504 .8027 0.0033 0.0004 0.0096 -.0003 0.0017 0 |
|
O5 .3486 .1281 .0850 0.0014 0.0008 0.0068 .0001 0.0006 0.0007 |
|
O6 .3436 .1193 .5854 0.0016 0.0008 0.0059 0 0.0005 -.0006 |
|
O7 .3338 0 .2983 0.0021 0.0003 0.0149 0 0.0007 0 |
|
Si1 .2780 .0862 .2944 0.0013 0.0003 0.0048 0 0.0004 -.0001 |
|
Si2 .2883 .1712 .8018 0.0011 0.0003 0.0050 -.0001 0.0005 0 |
|
Mg1 0 .0848 .5 .72 0.0017 0.0007 0.0061 0 0.0012 0 |
|
Fe1 0 .0848 .5 .28 0.0017 0.0007 0.0061 0 0.0012 0 |
|
Mg2 0 .1796 0 .28 0.0013 0.0003 0.0056 0 0.0006 0 |
|
Fe2 0 .1796 0 .72 0.0013 0.0003 0.0056 0 0.0006 0 |
|
Li3 0 0 0 .83 0.0023 0.0003 0.0065 0 -.0002 0 |
|
Mg3 0 0 0 .17 0.0023 0.0003 0.0065 0 -.0002 0 |
|
Na4 0 .2763 .5 .98 0.0037 0.0007 0.0160 0 0.0045 0 |
|
Ca4 0 .2763 .5 .02 0.0037 0.0007 0.0160 0 0.0045 0 |
|
NaA 0 .5 0 .85 0.0201 0.0009 0.0771 0 0.0384 0 |
|
Nam .0399 .5 .0930 .038 0.0108 0.0016 0.0337 0 0.0149 0 |
|
Na2 0 .4766 0 .038 4.14 |
|
H .1845 0 .7705 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Tolbachite |
|
Burns P C, Hawthorne F C |
|
American Mineralogist 78 (1993) 187-189 |
|
Tolbachite, CuCl2, the first example of Cu2+ octahedrally coordinated by Cl |
|
_database_code_amcsd 0001544 |
|
6.9038 3.2995 6.824 90 122.197 90 C2/m |
|
atom x y z Biso |
|
Cu 0 0 0 0.5 |
|
Cl .5048 0 .2294 1.00 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Dravite |
|
Hawthorne F C, MacDonald D J, Burns P C |
|
American Mineralogist 78 (1993) 265-270 |
|
Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the |
|
crystal structure of dravite |
|
Locality: Osarar, Narok District, Kenya |
|
_database_code_amcsd 0001551 |
|
15.947 15.947 7.214 90 90 120 R3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .15920 .814 .0227 .0227 .0177 .0114 0 0 |
|
KX 0 0 .15920 .014 .0227 .0227 .0177 .0114 0 0 |
|
CaX 0 0 .15920 .009 .0227 .0227 .0177 .0114 0 0 |
|
TiY .93867 .06133 .5643 .010 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
CrY .93867 .06133 .5643 .002 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
FeY .93867 .06133 .5643 .204 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
MnY .93867 .06133 .5643 .001 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
MgY .93867 .06133 .5643 .450 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
AlY .93867 .06133 .5643 .334 .0090 .0090 .0137 .0030 .0017 -.0017 |
|
AlZ .73849 .70217 .5386 .846 .0073 .0069 .0069 .0035 -.0010 -.0002 |
|
MgZ .73849 .70217 .5386 .154 .0073 .0069 .0069 .0035 -.0010 -.0002 |
|
SiT .81018 .80835 .9280 .0056 .0054 .0069 .0025 .0006 .0004 |
|
B .11000 .89000 .3819 .0086 .0086 .0082 .0045 .0004 -.0004 |
|
OH1 0 0 .6989 .0128 .0128 .0118 .0064 0 0 |
|
O2 .06109 .93891 .4156 .0138 .0138 .0122 .0091 .0005 -.0005 |
|
OH3 .86947 .13053 .4381 .0139 .0139 .0071 .0017 -.0001 .0001 |
|
O4 .09300 .90601 .9989 .0101 .0101 .0115 .0019 -.0010 .0010 |
|
O5 .90733 .09267 .0212 .0097 .0097 .0106 .0017 -.0011 .0011 |
|
O6 .81568 .80578 .7059 .0119 .0110 .0074 .0063 .0012 .0008 |
|
O7 .71512 .71494 .0059 .0076 .0086 .0112 .0022 .0027 .0021 |
|
O8 .73016 .79077 .3674 .0098 .0062 .0159 .0038 -.0034 -.0017 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Povondraite |
|
Grice J D, Ercit T S, Hawthorne F C |
|
American Mineralogist 78 (1993) 433-436 |
|
Povondraite, a redefinition of the tourmaline ferridravite |
|
Note: Atomic parameters updated by Grice on 11/20/2001 |
|
Locality: San Francisco mine, Villa Tunari, Bolivia |
|
_database_code_amcsd 0001555 |
|
16.186 16.186 7.444 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .2277 .80 .023 .0171 .0171 .0340 .00855 0 0 |
|
KX 0 0 .2277 .20 .023 .0171 .0171 .0340 .00855 0 0 |
|
FeY .1224 .0612 .6429 .85 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
|
MgY .1224 .0612 .6429 .15 .0065 .0044 .0036 .0118 .0022 -.0009 -.0005 |
|
FeZ .2987 .2627 .6124 .72 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
MgZ .2987 .2627 .6124 .23 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
AlZ .2987 .2627 .6124 .05 .0058 .0041 .0041 .0091 .0021 .0005 .0009 |
|
SiT .1892 .1876 0 .006 .0056 .0043 .0097 .0028 -.0010 -.0010 |
|
B .1097 .2194 .4558 .0095 .0118 .0046 .0078 .0023 .0003 .0006 |
|
O1 0 0 .7718 .88 .007 .0077 .0077 .0077 .00385 0 0 |
|
OH1 0 0 .7718 .12 .007 .0077 .0077 .0077 .00385 0 0 |
|
O2 .0610 .1220 .4905 .010 .0101 .0041 .0130 .0020 .0009 .0018 |
|
O3 .2578 .1289 .5123 .009 .0122 .0077 .0088 .0061 -.0026 -.0013 |
|
O4 .0924 .1848 .0692 .011 .0082 .0156 .0126 .0078 -.0058 -.0029 |
|
O5 .1826 .0913 .0866 .010 .0102 .0040 .0183 .0051 .0005 .0002 |
|
O6 .1922 .1829 .7838 .008 .0114 .0069 .0083 .0057 -.0004 -.0016 |
|
O7 .2811 .2813 .0754 .010 .0086 .0068 .0119 .0020 -.0002 -.0009 |
|
O8 .2070 .2679 .4420 .010 .0053 .0097 .0175 .0045 .0038 .0055 |
|
H3 .2411 .1205 .4027 .02 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi0 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001574 |
|
10.0547 17.997 5.2746 90 104.832 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2761 .0859 .3013 0.4 |
|
Si2 .2843 .171 .8024 0.4 |
|
Mg1 0 .0895 .5 0.6 |
|
Mg2 0 .1798 0 0.6 |
|
Mg3 0 0 0 0.6 |
|
Na 0 .2761 .5 .5 0.9 |
|
Ca 0 .2761 .5 .5 0.9 |
|
K .0213 .5 .0278 .5 2.3 |
|
O1 .1079 .088 .2149 0.8 |
|
O2 .1136 .1716 .7176 0.8 |
|
OH3 .1078 0 .7236 0.8 |
|
O4 .3542 .2486 .7854 0.8 |
|
O5 .3345 .13 .0945 1.1 |
|
O6 .3399 .1159 .603 1.1 |
|
O7 .3271 0 .3072 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi20 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001575 |
|
10.0536 17.982 5.2702 90 104.879 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2761 .0849 .303 0.4 |
|
Si2 .2844 .1715 .8034 0.4 |
|
Mg1 0 .0901 .5 .72 0.6 |
|
Ni1 0 .0901 .5 .28 0.6 |
|
Mg2 0 .1790 0 .9 0.6 |
|
Ni2 0 .1790 0 .1 0.6 |
|
Mg3 0 0 0 .62 0.6 |
|
Ni3 0 0 0 .38 0.6 |
|
Na 0 .2763 .5 .5 0.9 |
|
Ca 0 .2763 .5 .5 0.9 |
|
K .0183 .5 .0378 .5 2.3 |
|
O1 .1101 .0888 .2154 0.8 |
|
O2 .1146 .1727 .7238 0.8 |
|
OH3 .1067 0 .7095 0.8 |
|
O4 .3572 .2502 .7801 0.8 |
|
O5 .3417 .1316 .0951 1.1 |
|
O6 .3377 .1170 .5987 1.1 |
|
O7 .3297 0 .3095 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi40 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001576 |
|
10.0492 17.975 5.2661 90 104.904 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2757 .0856 .3023 0.4 |
|
Si2 .2839 .1698 .8038 0.4 |
|
Mg1 0 .0899 .5 .46 0.6 |
|
Ni1 0 .0899 .5 .54 0.6 |
|
Mg2 0 .1790 0 .73 0.6 |
|
Ni2 0 .1790 0 .27 0.6 |
|
Mg3 0 0 0 .37 0.6 |
|
Ni3 0 0 0 .63 0.6 |
|
Na 0 .275 .5 .5 0.9 |
|
Ca 0 .275 .5 .5 0.9 |
|
K .0149 .5 .0303 .5 2.3 |
|
O1 .1074 .0888 .2082 0.8 |
|
O2 .1159 .1713 .7225 0.8 |
|
OH3 .1069 0 .7234 0.8 |
|
O4 .3568 .2475 .7940 0.8 |
|
O5 .3420 .1304 .1028 1.1 |
|
O6 .3413 .1152 .6003 1.1 |
|
O7 .3287 0 .2999 1.2 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001577 |
|
10.0436 17.962 5.2633 90 104.936 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2747 .0855 .3048 0.4 |
|
Si2 .2853 .1699 .8048 0.4 |
|
Mg1 0 .0895 .5 .25 0.6 |
|
Ni1 0 .0895 .5 .75 0.6 |
|
Mg2 0 .1788 0 .54 0.6 |
|
Ni2 0 .1788 0 .46 0.6 |
|
Mg3 0 0 0 .2 0.6 |
|
Ni3 0 0 0 .8 0.6 |
|
Na 0 .2748 .5 .5 0.9 |
|
Ca 0 .2748 .5 .5 0.9 |
|
K .0176 .5 .0396 .5 2.3 |
|
O1 .1096 .0885 .2160 0.8 |
|
O2 .1152 .1725 .7228 0.8 |
|
OH3 .1067 0 .7191 0.8 |
|
O4 .3556 .2471 .7892 0.8 |
|
O5 .3426 .1299 .1035 1.1 |
|
O6 .3396 .1159 .5997 1.1 |
|
O7 .3330 0 .3112 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi80 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001578 |
|
10.0382 17.954 5.2610 90 104.954 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2723 .0851 .3014 0.4 |
|
Si2 .2871 .1705 .8067 0.4 |
|
Mg1 0 .0899 .5 .1 0.6 |
|
Ni1 0 .0899 .5 .9 0.6 |
|
Mg2 0 .1785 0 .33 0.6 |
|
Ni2 0 .1785 0 .67 0.6 |
|
Mg3 0 0 0 .07 0.6 |
|
Ni3 0 0 0 .93 0.6 |
|
Na 0 .2734 .5 .5 0.9 |
|
Ca 0 .2734 .5 .5 0.9 |
|
K .0227 .5 .0402 .5 2.3 |
|
O1 .1058 .0882 .2131 0.8 |
|
O2 .1184 .1711 .7310 0.8 |
|
OH3 .1045 0 .7150 0.8 |
|
O4 .3590 .2457 .7919 0.8 |
|
O5 .3434 .1310 .1050 1.1 |
|
O6 .3396 .1154 .6011 1.1 |
|
O7 .3322 0 .3046 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KNi100 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001579 |
|
10.0297 17.942 5.2576 90 104.982 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2744 .0852 .3027 0.4 |
|
Si2 .2849 .1708 .8055 0.4 |
|
Ni1 0 .0895 .5 0.6 |
|
Ni2 0 .1784 0 0.6 |
|
Ni3 0 0 0 0.6 |
|
Na 0 .2740 .5 .5 0.9 |
|
Ca 0 .2740 .5 .5 0.9 |
|
K .0231 .5 .0380 .5 2.3 |
|
O1 .1050 .0889 .2124 0.8 |
|
O2 .1169 .1697 .7329 0.8 |
|
OH3 .1071 0 .7132 0.8 |
|
O4 .3593 .2455 .7855 0.8 |
|
O5 .3470 .1333 .1093 1.1 |
|
O6 .3375 .1168 .5993 1.1 |
|
O7 .3336 0 .3137 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo20 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001580 |
|
10.0711 18.015 5.2760 90 104.836 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2747 .0855 .3012 0.4 |
|
Si2 .2851 .171 .8022 0.4 |
|
Mg1 0 .0902 .5 .76 0.6 |
|
Co1 0 .0902 .5 .24 0.6 |
|
Mg2 0 .18 0 .86 0.6 |
|
Co2 0 .18 0 .14 0.6 |
|
Mg3 0 0 0 .75 0.6 |
|
Co3 0 0 0 .25 0.6 |
|
Na 0 .2757 .5 .5 0.9 |
|
Ca 0 .2757 .5 .5 0.9 |
|
K .0178 .5 .0321 .5 2.3 |
|
O1 .1083 .0887 .2138 0.8 |
|
O2 .1184 .1721 .7233 0.8 |
|
OH3 .1087 0 .7158 0.8 |
|
O4 .3574 .2485 .7876 0.8 |
|
O5 .3395 .1308 .0965 1.1 |
|
O6 .339 .1162 .5955 1.1 |
|
O7 .3308 0 .3091 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo40 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001581 |
|
10.0817 18.021 5.2753 90 104.832 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2763 .0856 .3037 0.4 |
|
Si2 .2846 .1707 .8040 0.4 |
|
Mg1 0 .0907 .5 .55 0.6 |
|
Co1 0 .0907 .5 .45 0.6 |
|
Mg2 0 .1792 0 .71 0.6 |
|
Co2 0 .1792 0 .29 0.6 |
|
Mg3 0 0 0 .5 0.6 |
|
Co3 0 0 0 .5 0.6 |
|
Na 0 .2758 .5 .5 0.9 |
|
Ca 0 .2758 .5 .5 0.9 |
|
K .0189 .5 .0343 .5 2.3 |
|
O1 .1094 .0884 .2062 0.8 |
|
O2 .1178 .1742 .7224 0.8 |
|
OH3 .1059 0 .7106 0.8 |
|
O4 .3574 .2467 .7820 0.8 |
|
O5 .3424 .1315 .1024 1.1 |
|
O6 .3392 .1177 .5954 1.1 |
|
O7 .3302 0 .3072 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001582 |
|
10.0923 18.032 5.2742 90 104.829 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2806 .0867 .3025 0.4 |
|
Si2 .2822 .1714 .8040 0.4 |
|
Mg1 0 .0895 .5 .38 0.6 |
|
Co1 0 .0895 .5 .62 0.6 |
|
Mg2 0 .1797 0 .5 0.6 |
|
Co2 0 .1797 0 .5 0.6 |
|
Mg3 0 0 0 .32 0.6 |
|
Co3 0 0 0 .68 0.6 |
|
Na 0 .2732 .5 .5 0.9 |
|
Ca 0 .2732 .5 .5 0.9 |
|
K .0146 .5 .0572 .5 2.3 |
|
O1 .1130 .0909 .2089 0.8 |
|
O2 .1121 .1735 .7124 0.8 |
|
OH3 .1026 0 .7137 0.8 |
|
O4 .3549 .2470 .7808 0.8 |
|
O5 .3428 .1313 .1006 1.1 |
|
O6 .3413 .1166 .6083 1.1 |
|
O7 .3270 0 .3066 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo80 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001583 |
|
10.1065 18.052 5.2743 90 104.844 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2719 .0859 .3010 0.4 |
|
Si2 .2912 .1699 .8074 0.4 |
|
Mg1 0 .092 .5 .21 0.6 |
|
Co1 0 .092 .5 .79 0.6 |
|
Mg2 0 .1805 0 .3 0.6 |
|
Co2 0 .1805 0 .7 0.6 |
|
Mg3 0 0 0 .16 0.6 |
|
Co3 0 0 0 .84 0.6 |
|
Na 0 .2763 .5 .5 0.9 |
|
Ca 0 .2763 .5 .5 0.9 |
|
K .0243 .5 .0240 .5 2.3 |
|
O1 .1067 .0897 .2101 0.8 |
|
O2 .1223 .1737 .7163 0.8 |
|
OH3 .0978 0 .7161 0.8 |
|
O4 .3578 .2448 .7786 0.8 |
|
O5 .3433 .1302 .1037 1.1 |
|
O6 .3414 .115 .5877 1.1 |
|
O7 .3342 0 .3111 1.2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 633-640 |
|
Site occupancies in monoclinic amphiboles: Rietveld structure refinement of |
|
synthetic magnesium cobalt potassium richterite |
|
Sample: KCo100 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001584 |
|
10.1166 18.066 5.2752 90 104.846 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2726 .0864 .3008 0.4 |
|
Si2 .2912 .1710 .8051 0.4 |
|
Co1 0 .0899 .5 0.6 |
|
Co2 0 .1808 0 0.6 |
|
Co3 0 0 0 0.6 |
|
Na 0 .2742 .5 .5 0.9 |
|
Ca 0 .2742 .5 .5 0.9 |
|
K .0202 .5 .0120 .5 2.3 |
|
O1 .1066 .0890 .2166 0.8 |
|
O2 .1227 .1722 .7199 0.8 |
|
OH3 .1085 0 .7256 0.8 |
|
O4 .3607 .2413 .7867 0.8 |
|
O5 .3427 .1317 .1025 1.1 |
|
O6 .3443 .1133 .5956 1.1 |
|
O7 .3325 0 .3202 1.2 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spangolite |
|
Hawthorne F C, Kimata M, Eby R K |
|
American Mineralogist 78 (1993) 649-652 |
|
The crystal structure of spangolite, a complex copper sulfate sheet mineral |
|
_database_code_amcsd 0001585 |
|
8.254 8.254 14.354 90 90 120 P31c |
|
atom x y z occ Uiso |
|
Cu1 .0915 .4649 0 .0147 |
|
Cu2 .7979 .0405 -.0132 .0137 |
|
S 0 0 -.2246 .0283 |
|
Cl 1/3 2/3 .1495 .0346 |
|
Al 2/3 1/3 -.0143 .0122 |
|
O1 .1835 .0346 -.2593 .0570 |
|
O2 0 0 -.1217 .0212 |
|
Oh3 .8086 .2492 -.0830 .0150 |
|
Oh4 .5283 .4121 .0584 .0143 |
|
Oh5 .2962 .4517 -.0618 .0158 |
|
Oh6 .0364 .2176 .0484 .0140 |
|
OH7A .552 .0071 .255 .5 .0471 |
|
OH7B .644 .0970 .250 .5 .0471 |
|
H3 .81 .25 .85 .012 |
|
H4 .53 .41 .13 .012 |
|
H5 .30 .45 .87 .012 |
|
H6 .04 .22 .12 .012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-oxy-ferri-magnesiokatophorite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(1), magnesio-ferri-fluor-oxy-katophorite |
|
_database_code_amcsd 0001586 |
|
9.795 17.993 5.280 90 104.53 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1125 .0860 .2185 .58 |
|
O2 .1183 .1684 .7257 .70 |
|
O3 .1028 0 .7121 .30 .89 |
|
F .1028 0 .7121 .70 .89 |
|
O4 .3625 .2494 .7950 .93 |
|
O5 .3492 .1334 .0947 .93 |
|
O6 .3460 .1198 .5886 .81 |
|
O7 .3414 0 .2956 .97 |
|
SiT1 .2834 .0845 .2973 .948 .47 |
|
AlT1 .2834 .0845 .2973 .052 .47 |
|
SiT2 .2896 .1708 .8041 .948 .46 |
|
AlT2 .2896 .1708 .8041 .052 .46 |
|
MgM1 0 .0839 .5 .640 .82 |
|
Fe3+M1 0 .0839 .5 .265 .82 |
|
TiM1 0 .0839 .5 .025 .82 |
|
MnM1 0 .0839 .5 .070 .82 |
|
MgM2 0 .1792 0 .595 .61 |
|
Fe3+M2 0 .1792 0 .275 .61 |
|
MnM2 0 .1792 0 .130 .61 |
|
LiM3 0 0 0 .060 .50 |
|
MgM3 0 0 0 .770 .50 |
|
Fe3+M3 0 0 0 .140 .50 |
|
MnM3 0 0 0 .030 .50 |
|
NaM4 0 .2767 .5 .875 1.03 |
|
CaM4 0 .2767 .5 .125 1.03 |
|
KA 0 .5 0 .068 6.98 |
|
NaA 0 .5 0 .164 6.98 |
|
KAm .0469 .5 .1117 .029 3.60 |
|
NaAm .0469 .5 .1117 .069 3.60 |
|
KA2 0 .4833 0 .011 3.96 |
|
NaA2 0 .4833 0 .026 3.96 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferri-magnesiokatophorite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(2), magnesio-ferri-fluor-katophorite |
|
_database_code_amcsd 0001587 |
|
9.808 17.993 5.284 90 104.54 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1123 .0866 .2183 .72 |
|
O2 .1186 .1686 .7272 .68 |
|
O3 .1034 0 .7103 .23 .89 |
|
OH3 .1034 0 .7103 .09 .89 |
|
F .1034 0 .7103 .68 .89 |
|
O4 .3623 .2494 .7961 .86 |
|
O5 .3490 .1327 .0945 .97 |
|
O6 .3455 .1194 .5897 .80 |
|
O7 .3404 0 .2962 1.05 |
|
SiT1 .2826 .0846 .2976 .95 .48 |
|
AlT1 .2826 .0846 .2976 .05 .48 |
|
SiT2 .2895 .1706 .8045 .95 .48 |
|
AlT2 .2895 .1706 .8045 .05 .48 |
|
MgM1 0 .0846 .5 .730 .72 |
|
Fe3+M1 0 .0846 .5 .200 .72 |
|
TiM1 0 .0846 .5 .025 .72 |
|
MnM1 0 .0846 .5 .045 .72 |
|
MgM2 0 .1795 0 .435 .61 |
|
Fe3+M2 0 .1795 0 .400 .61 |
|
ZnM2 0 .1795 0 .165 .61 |
|
LiM3 0 0 0 .060 .58 |
|
MgM3 0 0 0 .830 .58 |
|
Fe3+M3 0 0 0 .040 .58 |
|
MnM3 0 0 0 .070 .58 |
|
NaM4 0 .2774 .5 .525 .87 |
|
CaM4 0 .2774 .5 .475 .87 |
|
KA 0 .5 0 .069 5.90 |
|
NaA 0 .5 0 .171 5.90 |
|
KAm .0451 .5 .1077 .039 3.84 |
|
NaAm .0451 .5 .1077 .097 3.84 |
|
KA2 0 .4795 0 .011 3.07 |
|
NaA2 0 .4795 0 .027 3.07 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferroleakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(3), ferro-fluor-leakeite |
|
_database_code_amcsd 0001588 |
|
9.792 17.934 5.313 90 103.87 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1107 .0906 .2088 .65 |
|
O2 .1198 .1715 .7368 .64 |
|
OH3 .1130 0 .7071 .15 1.12 |
|
F .1130 0 .7071 .85 1.12 |
|
O4 .3652 .2497 .8013 .81 |
|
O5 .3507 .1284 .0836 .82 |
|
O6 .3417 .1201 .5805 .81 |
|
O7 .3356 0 .2992 .87 |
|
SiT1 .2797 .0858 .2918 .959 .46 |
|
AlT1 .2797 .0858 .2918 .041 .46 |
|
SiT2 .2903 .1707 .8024 .959 .45 |
|
AlT2 .2903 .1707 .8024 .041 .45 |
|
MgM1 0 .0888 .5 .250 .63 |
|
Fe2+M1 0 .0888 .5 .560 .63 |
|
MnM1 0 .0888 .5 .190 .63 |
|
Fe2+M2 0 .1811 0 .020 .53 |
|
Fe3+M2 0 .1811 0 .910 .53 |
|
TiM2 0 .1811 0 .040 .53 |
|
ZnM2 0 .1811 0 .030 .53 |
|
LiM3 0 0 0 .640 .67 |
|
MgM3 0 0 0 .040 .67 |
|
MnM3 0 0 0 .320 .67 |
|
NaM4 0 .2776 .5 1.11 |
|
KA 0 .5 0 .064 4.86 |
|
NaA 0 .5 0 .180 4.86 |
|
KAm .0456 .5 .0973 .083 3.52 |
|
NaAm .0456 .5 .0973 .230 3.52 |
|
KA2 0 .4693 0 .004 3.69 |
|
NaA2 0 .4693 0 .011 3.69 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferroleakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(4), ferro-fluor-leakeite |
|
_database_code_amcsd 0001589 |
|
9.796 17.934 5.312 90 103.89 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1107 .0904 .2093 .61 |
|
O2 .1197 .1714 .7363 .61 |
|
OH3 .1123 0 .7067 .20 1.03 |
|
F .1123 0 .7067 .80 1.03 |
|
O4 .3651 .2498 .8012 .78 |
|
O5 .3505 .1284 .0834 .77 |
|
O6 .3420 .1202 .5806 .75 |
|
O7 .3358 0 .2987 .84 |
|
SiT1 .2797 .0858 .2920 .975 .42 |
|
AlT1 .2797 .0858 .2920 .025 .42 |
|
SiT2 .2902 .1707 .8025 .975 .41 |
|
AlT2 .2902 .1707 .8025 .025 .41 |
|
MgM1 0 .0888 .5 .300 .59 |
|
Fe2+M1 0 .0888 .5 .530 .59 |
|
MnM1 0 .0888 .5 .170 .59 |
|
Fe2+M2 0 .1810 0 .030 .48 |
|
Fe3+M2 0 .1810 0 .900 .48 |
|
TiM2 0 .1810 0 .035 .48 |
|
ZnM2 0 .1810 0 .035 .48 |
|
LiM3 0 0 0 .640 .66 |
|
MgM3 0 0 0 .040 .66 |
|
MnM3 0 0 0 .320 .66 |
|
NaM4 0 .2775 .5 1.17 |
|
KA 0 .5 0 .065 4.69 |
|
NaA 0 .5 0 .178 4.69 |
|
KAm .0447 .5 .0963 .082 3.25 |
|
NaAm .0447 .5 .0963 .224 3.25 |
|
KA2 0 .4661 0 .005 2.06 |
|
NaA2 0 .4661 0 .013 2.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferroleakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(5), ferro-fluor-leakeite |
|
_database_code_amcsd 0001590 |
|
9.792 17.935 5.314 90 103.85 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1108 .0907 .2088 .59 |
|
O2 .1200 .1718 .7373 .62 |
|
OH3 .1130 0 .7075 .20 1.08 |
|
F .1130 0 .7075 .80 1.08 |
|
O4 .3654 .2496 .8011 .78 |
|
O5 .3506 .1284 .0831 .79 |
|
O6 .3416 .1202 .5804 .74 |
|
O7 .3352 0 .2987 .85 |
|
SiT1 .2796 .0859 .2916 .966 .44 |
|
AlT1 .2796 .0859 .2916 .034 .44 |
|
SiT2 .2904 .1708 .8026 .966 .42 |
|
AlT2 .2904 .1708 .8026 .034 .42 |
|
MgM1 0 .0889 .5 .210 .61 |
|
Fe2+M1 0 .0889 .5 .590 .61 |
|
MnM1 0 .0889 .5 .200 .61 |
|
Fe3+M2 0 .1811 0 .930 .50 |
|
TiM2 0 .1811 0 .035 .50 |
|
ZnM2 0 .1811 0 .035 .50 |
|
LiM3 0 0 0 .630 .64 |
|
MgM3 0 0 0 .040 .64 |
|
MnM3 0 0 0 .330 .64 |
|
NaM4 0 .2776 .5 1.13 |
|
KA 0 .5 0 .060 5.58 |
|
NaA 0 .5 0 .165 5.58 |
|
KAm .0449 .5 .0989 .082 3.54 |
|
NaAm .0449 .5 .0989 .224 3.54 |
|
KA2 0 .4734 0 .006 2.17 |
|
NaA2 0 .4734 0 .017 2.17 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferri-magnesiokatophorite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(6), magnesio-ferri-fluor-katophorite |
|
_database_code_amcsd 0001591 |
|
9.835 17.944 5.297 90 103.97 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1119 .0871 .2147 .71 |
|
O2 .1199 .1699 .7291 .82 |
|
O3 .1072 0 .7098 .20 .92 |
|
OH3 .1072 0 .7098 .11 .92 |
|
F .1072 0 .7098 .69 .92 |
|
O4 .3634 .2485 .7952 1.02 |
|
O5 .3482 .1302 .0874 .95 |
|
O6 .3430 .1186 .5852 .92 |
|
O7 .3385 0 .2936 1.03 |
|
SiT1 .2805 .0849 .2937 .974 .49 |
|
AlT1 .2805 .0849 .2937 .026 .49 |
|
SiT2 .2891 .1704 .8013 .974 .51 |
|
AlT2 .2891 .1704 .8013 .026 .51 |
|
MgM1 0 .0892 .5 .635 .64 |
|
Fe3+M1 0 .0892 .5 .110 .64 |
|
TiM1 0 .0892 .5 .020 .64 |
|
MnM1 0 .0892 .5 .235 .64 |
|
MgM2 0 .1808 0 .140 .59 |
|
Fe2+M2 0 .1808 0 .425 .59 |
|
Fe3+M2 0 .1808 0 .425 .59 |
|
ZnM2 0 .1808 0 .010 .59 |
|
LiM3 0 0 0 .160 .76 |
|
MgM3 0 0 0 .550 .76 |
|
Fe2+M3 0 0 0 .160 .76 |
|
Fe3+M3 0 0 0 .060 .76 |
|
MnM3 0 0 0 .070 .76 |
|
NaM4 0 .2761 .5 .64 1.33 |
|
CaM4 0 .2761 .5 .36 1.33 |
|
KA 0 .5 0 .067 7.67 |
|
NaA 0 .5 0 .202 7.67 |
|
KAm .0429 .5 .0958 .055 3.41 |
|
NaAm .0429 .5 .0958 .164 3.41 |
|
KA2 0 .4794 0 .017 4.73 |
|
NaA2 0 .4794 0 .050 4.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluoro-ferri-magnesiokatophorite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(7), magnesio-ferri-fluor-katophorite |
|
_database_code_amcsd 0001592 |
|
9.861 18.050 5.288 90 104.22 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1120 .0863 .2155 .72 |
|
O2 .1198 .1697 .7277 .76 |
|
OH3 .1061 0 .7112 .20 .92 |
|
F .1061 0 .7112 .80 .92 |
|
O4 .3629 .2485 .7936 1.01 |
|
O5 .3480 .1308 .0887 .98 |
|
O6 .3435 .1181 .5864 .92 |
|
O7 .3397 0 .2922 .96 |
|
SiT1 .2809 .0847 .2945 .963 .47 |
|
AlT1 .2809 .0847 .2945 .037 .47 |
|
SiT2 .2890 .1705 .8014 .963 .49 |
|
AlT2 .2890 .1705 .8014 .037 .49 |
|
MgM1 0 .0892 .5 .715 .59 |
|
Fe3+M1 0 .0892 .5 .035 .59 |
|
TiM1 0 .0892 .5 .020 .59 |
|
MnM1 0 .0892 .5 .230 .59 |
|
MgM2 0 .1804 0 .210 .59 |
|
Fe2+M2 0 .1804 0 .440 .59 |
|
Fe3+M2 0 .1804 0 .290 .59 |
|
MnM2 0 .1804 0 .040 .59 |
|
ZnM2 0 .1804 0 .020 .59 |
|
LiM3 0 0 0 .080 .56 |
|
MgM3 0 0 0 .720 .56 |
|
Fe2+M3 0 0 0 .190 .56 |
|
MnM3 0 0 0 .010 .56 |
|
NaM4 0 .2762 .5 .60 1.20 |
|
CaM4 0 .2762 .5 .36 1.20 |
|
MnM4 0 .2762 .5 .04 1.20 |
|
KA 0 .5 0 .056 7.84 |
|
NaA 0 .5 0 .222 7.84 |
|
KAm .0396 .5 .0948 .044 3.63 |
|
NaAm .0396 .5 .0948 .177 3.63 |
|
KA2 0 .4802 0 .011 3.97 |
|
NaA2 0 .4802 0 .044 3.97 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-arfvedsonite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(8) |
|
_database_code_amcsd 0001593 |
|
9.816 18.004 5.325 90 103.72 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1113 .0905 .2073 .67 |
|
O2 .1201 .1720 .7365 .70 |
|
O3 .1116 0 .7081 .40 1.00 |
|
F .1116 0 .7081 .60 1.00 |
|
O4 .3653 .2490 .8000 .91 |
|
O5 .3498 .1282 .0811 .89 |
|
O6 .3407 .1203 .5783 .88 |
|
O7 .3340 0 .2979 .94 |
|
SiT1 .2801 .0857 .2906 .985 .48 |
|
AlT1 .2801 .0857 .2906 .015 .48 |
|
SiT2 .2903 .1704 .8012 .985 .47 |
|
AlT2 .2903 .1704 .8012 .015 .47 |
|
MgM1 0 .0906 .5 .100 .61 |
|
Fe2+M1 0 .0906 .5 .680 .61 |
|
MnM1 0 .0906 .5 .220 .61 |
|
Fe2+M2 0 .1826 0 .130 .55 |
|
Fe3+M2 0 .1826 0 .770 .55 |
|
TiM2 0 .1826 0 .050 .55 |
|
ZnM2 0 .1826 0 .050 .55 |
|
LiM3 0 0 0 .360 .62 |
|
Fe2+M3 0 0 0 .410 .62 |
|
MnM3 0 0 0 .230 .62 |
|
NaM4 0 .2776 .5 1.24 |
|
KA 0 .5 0 .095 6.30 |
|
NaA 0 .5 0 .182 6.30 |
|
KAm .0480 .5 .1055 .075 2.96 |
|
NaAm .0480 .5 .1055 .144 2.96 |
|
H .1965 0 .7329 .40 4.79 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-arfvedsonite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(9) |
|
_database_code_amcsd 0001594 |
|
9.815 18.016 5.329 90 103.71 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1111 .0909 .2071 .67 |
|
O2 .1202 .1721 .7376 .70 |
|
O3 .1119 0 .7082 .30 1.12 |
|
F .1119 0 .7082 .70 1.12 |
|
O4 .3656 .2490 .8001 .86 |
|
O5 .3496 .1283 .0814 .85 |
|
O6 .3404 .1203 .5781 .86 |
|
O7 .3332 0 .2985 .94 |
|
SiT1 .2801 .0858 .2908 .985 .47 |
|
AlT1 .2801 .0858 .2908 .015 .47 |
|
SiT2 .2903 .1704 .8018 .985 .46 |
|
AlT2 .2903 .1704 .8018 .015 .46 |
|
MgM1 0 .0906 .5 .090 .63 |
|
Fe2+M1 0 .0906 .5 .640 .63 |
|
MnM1 0 .0906 .5 .270 .63 |
|
Fe2+M2 0 .1827 0 .100 .56 |
|
Fe3+M2 0 .1827 0 .810 .56 |
|
TiM2 0 .1827 0 .040 .56 |
|
ZnM2 0 .1827 0 .050 .56 |
|
LiM3 0 0 0 .330 .63 |
|
Fe2+M3 0 0 0 .420 .63 |
|
MnM3 0 0 0 .250 .63 |
|
NaM4 0 .2780 .5 1.20 |
|
KA 0 .5 0 .113 8.03 |
|
NaA 0 .5 0 .178 8.03 |
|
KAm .0443 .5 .1041 .072 3.22 |
|
NaAm .0443 .5 .1041 .113 3.22 |
|
H .2020 0 .7780 .30 1.33 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-arfvedsonite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(10) |
|
_database_code_amcsd 0001595 |
|
9.858 18.046 5.316 90 103.69 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1127 .0881 .2102 .75 |
|
O2 .1206 .1707 .7320 .81 |
|
OH3 .1097 0 .7088 .15 1.11 |
|
F .1097 0 .7088 .85 1.11 |
|
O4 .3640 .2484 .7965 1.11 |
|
O5 .3491 .1278 .0798 .94 |
|
O6 .3421 .1188 .5782 .96 |
|
O7 .3376 0 .2937 .98 |
|
SiT1 .2806 .0851 .2902 .49 |
|
SiT2 .2898 .1700 .7988 .48 |
|
MgM1 0 .0906 .5 .260 .59 |
|
Fe2+M1 0 .0906 .5 .450 .59 |
|
MnM1 0 .0906 .5 .290 .59 |
|
Fe2+M2 0 .1823 0 .470 .57 |
|
Fe3+M2 0 .1823 0 .470 .57 |
|
TiM2 0 .1823 0 .060 .57 |
|
LiM3 0 0 0 .250 .62 |
|
MgM3 0 0 0 .250 .62 |
|
Fe2+M3 0 0 0 .280 .62 |
|
MnM3 0 0 0 .220 .62 |
|
NaM4 0 .2761 .5 .991 1.29 |
|
CaM4 0 .2761 .5 .004 1.29 |
|
MnM4 0 .2761 .5 .005 1.29 |
|
KA 0 .5 0 .043 4.44 |
|
NaA 0 .5 0 .197 4.44 |
|
KAm .0445 .5 .0965 .064 3.53 |
|
NaAm .0445 .5 .0965 .290 3.53 |
|
KA2 0 .4675 0 .004 4.78 |
|
NaA2 0 .4675 0 .020 4.78 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluor-arfvedsonite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(11) |
|
_database_code_amcsd 0001596 |
|
9.859 18.049 5.316 90 103.69 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1126 .0884 .2097 .71 |
|
O2 .1207 .1709 .7324 .76 |
|
OH3 .1099 0 .7083 .15 1.07 |
|
F .1099 0 .7083 .85 1.07 |
|
O4 .3643 .2484 .7970 1.05 |
|
O5 .3491 .1278 .0795 .88 |
|
O6 .3419 .1189 .5780 .90 |
|
O7 .3375 0 .2940 1.00 |
|
SiT1 .2805 .0851 .2901 .995 .46 |
|
AlT1 .2805 .0851 .2901 .005 .46 |
|
SiT2 .2898 .1700 .7989 .995 .46 |
|
AlT2 .2898 .1700 .7989 .005 .46 |
|
MgM1 0 .0908 .5 .210 .58 |
|
Fe2+M1 0 .0908 .5 .500 .58 |
|
MnM1 0 .0908 .5 .290 .58 |
|
Fe2+M2 0 .1824 0 .500 .55 |
|
Fe3+M2 0 .1824 0 .440 .55 |
|
TiM2 0 .1824 0 .060 .55 |
|
LiM3 0 0 0 .250 .63 |
|
MgM3 0 0 0 .200 .63 |
|
Fe2+M3 0 0 0 .330 .63 |
|
MnM3 0 0 0 .220 .63 |
|
NaM4 0 .2761 .5 .915 1.35 |
|
CaM4 0 .2761 .5 .03 1.35 |
|
MnM4 0 .2761 .5 .055 1.35 |
|
KA 0 .5 0 .039 4.39 |
|
NaA 0 .5 0 .205 4.39 |
|
KAm .0440 .5 .0981 .056 3.34 |
|
NaAm .0440 .5 .0981 .294 3.34 |
|
KA2 0 .4694 0 .004 2.49 |
|
NaA2 0 .4694 0 .020 2.49 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arfvedsonite |
|
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Locality: Questa caldera, New Mexico |
|
Sample: A(12) |
|
_database_code_amcsd 0001597 |
|
9.840 18.036 5.365 90 104.05 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1111 .0903 .2079 .72 |
|
O2 .1202 .1720 .7349 .71 |
|
O3 .1112 0 .7076 .60 1.00 |
|
F .1112 0 .7076 .40 1.00 |
|
O4 .3649 .2488 .7986 .94 |
|
O5 .3488 .1283 .0798 .93 |
|
O6 .3405 .1200 .5781 .91 |
|
O7 .3341 0 .2970 1.00 |
|
SiT1 .2801 .0857 .2902 .978 .46 |
|
AlT1 .2801 .0857 .2902 .022 .46 |
|
SiT2 .2899 .1705 .8002 .978 .49 |
|
AlT2 .2899 .1705 .8002 .022 .49 |
|
MgM1 0 .0908 .5 .110 .60 |
|
Fe2+M1 0 .0908 .5 .720 .60 |
|
MnM1 0 .0908 .5 .170 .60 |
|
Fe2+M2 0 .1829 0 .290 .57 |
|
Fe3+M2 0 .1829 0 .650 .57 |
|
TiM2 0 .1829 0 .040 .57 |
|
ZnM2 0 .1829 0 .020 .57 |
|
LiM3 0 0 0 .170 .59 |
|
MgM3 0 0 0 .090 .59 |
|
Fe2+M3 0 0 0 .500 .59 |
|
MnM3 0 0 0 .240 .59 |
|
NaM4 0 .2770 .5 .935 1.42 |
|
CaM4 0 .2770 .5 .04 1.42 |
|
FeM4 0 .2770 .5 .025 1.42 |
|
KA 0 .5 0 .083 9.90 |
|
NaA 0 .5 0 .203 9.90 |
|
KAm .0476 .5 .1147 .070 2.48 |
|
NaAm .0476 .5 .1147 .171 2.48 |
|
H .1983 0 .7472 .60 1.61 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Arfvedsonite |
|
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Sample: A(13) |
|
_database_code_amcsd 0001598 |
|
9.986 18.042 5.314 90 103.92 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1101 .0913 .2077 .78 |
|
O2 .1202 .1726 .7332 .84 |
|
O3 .1082 0 .7081 .85 .99 |
|
F .1082 0 .7081 .15 .99 |
|
O4 .3640 .2475 .7992 1.02 |
|
O5 .3449 .1268 .0804 .86 |
|
O6 .3376 .1183 .5814 .92 |
|
O7 .3276 0 .2972 1.03 |
|
SiT1 .2750 .0860 .2909 .991 .55 |
|
AlT1 .2750 .0860 .2909 .009 .55 |
|
SiT2 .2867 .1708 .7998 .991 .55 |
|
AlT2 .2867 .1708 .7998 .009 .55 |
|
MgM1 0 .0909 .5 .020 .73 |
|
Fe2+M1 0 .0909 .5 .980 .73 |
|
Fe2+M2 0 .1839 0 .340 .59 |
|
Fe3+M2 0 .1839 0 .600 .59 |
|
TiM2 0 .1839 0 .030 .59 |
|
ZnM2 0 .1839 0 .010 .59 |
|
AlM2 0 .1839 0 .020 .59 |
|
LiM3 0 0 0 .220 .68 |
|
Fe2+M3 0 0 0 .640 .68 |
|
MnM3 0 0 0 .140 .68 |
|
NaM4 0 .2778 .5 .975 1.36 |
|
CaM4 0 .2778 .5 .025 1.36 |
|
KA 0 .5 0 .377 3.19 |
|
NaA 0 .5 0 .203 3.19 |
|
KAm .0386 .5 .0937 .059 3.24 |
|
NaAm .0386 .5 .0937 .032 3.24 |
|
KA2 0 .4700 0 .013 3.00 |
|
NaA2 0 .4700 0 .007 3.00 |
|
H .1870 0 .7480 .85 .82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferropargasite |
|
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C |
|
American Mineralogist 78 (1993) 746-752 |
|
The mechanism of Cl incorporation in amphibole |
|
Sample: Cl(0) |
|
Locality: Nuptse Glacier moraine, Everest Massif, Nepal |
|
_database_code_amcsd 0001599 |
|
9.895 18.119 5.332 90 105.17 90 C2/m |
|
atom x y z occ Biso |
|
NaA 0 .5 0 .10 2.20 |
|
KA 0 .5 0 .13 2.20 |
|
NaAm .0336 .5 .0734 .05 1.74 |
|
KAm .0336 .5 .0734 .06 1.74 |
|
NaA2 0 .4714 0 .05 4.05 |
|
KA2 0 .4714 0 .06 4.05 |
|
Ca4 0 .2808 .5 .97 .75 |
|
Na4 0 .2808 .5 .03 .75 |
|
Mg1 0 .0897 .5 .46 .58 |
|
Fe1 0 .0897 .5 .54 .58 |
|
Mg2 0 .1780 0 .27 .50 |
|
Fe2 0 .1780 0 .51 .50 |
|
Al2 0 .1780 0 .19 .50 |
|
Ti2 0 .1780 0 .03 .50 |
|
Mg3 0 0 0 .34 .53 |
|
Fe3 0 0 0 .66 .53 |
|
Si1 .2791 .0860 .3026 .52 .45 |
|
Al1 .2791 .0860 .3026 .48 .45 |
|
Si2 .2911 .1732 .8140 .46 |
|
O1 .1051 .0911 .2141 .79 |
|
O2 .1199 .1756 .7358 .70 |
|
F3 .1097 0 .7120 .13 .84 |
|
Oh3 .1097 0 .7120 .87 .84 |
|
O4 .3686 .2499 .7924 .82 |
|
O5 .3490 .1392 .1087 .87 |
|
O6 .3426 .1195 .6046 .91 |
|
O7 .3336 0 .2887 1.21 |
|
H .1579 0 .7603 .87 1.53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Potassic-chlorohastingsite |
| |
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C |
|
American Mineralogist 78 (1993) 746-752 |
|
The mechanism of Cl incorporation in amphibole |
|
Sample: Cl(1) |
|
Locality: Sesia-Lanzo marble, Western Alps, Italy |
|
_database_code_amcsd 0001600 |
|
9.884 18.143 5.332 90 104.86 90 C2/m |
|
atom x y z occ Biso |
|
NaA 0 .5 0 .15 4.58 |
|
KA 0 .5 0 .12 4.58 |
|
NaAm .0412 .5 .0945 .08 4.66 |
|
KAm .0412 .5 .0945 .06 4.66 |
|
NaA2 0 .4614 0 .08 3.00 |
|
KA2 0 .4614 0 .06 3.00 |
|
Mg1 0 .0921 .5 .35 .69 |
|
Fe1 0 .0921 .5 .65 .69 |
|
Mg2 0 .1787 0 .38 .60 |
|
Fe2 0 .1787 0 .44 .60 |
|
Al2 0 .1787 0 .16 .60 |
|
Ti2 0 .1787 0 .02 .60 |
|
Mg3 0 0 0 .26 .73 |
|
Fe3 0 0 0 .74 .73 |
|
Ca4 0 .2796 .5 .87 .93 |
|
Na4 0 .2796 .5 .10 .93 |
|
Mg4 0 .2796 .5 .02 .93 |
|
Fe4 0 .2796 .5 .01 .93 |
|
Si1 .2789 .0854 .2996 .61 .52 |
|
Al1 .2789 .0854 .2996 .39 .52 |
|
Si2 .2909 .1729 .8100 .53 |
|
O1 .1062 .0903 .2139 .89 |
|
O2 .1210 .1754 .7343 .84 |
|
Cl3 .1061 0 .7076 .28 1.03 |
|
F3 .1061 0 .7076 .13 1.03 |
|
OH3 .1061 0 .7076 .58 1.03 |
|
O3' .1596 0 .7332 1.64 |
|
O4 .3679 .2495 .7944 .90 |
|
O5 .3484 .1363 .1007 .96 |
|
O6 .3426 .1201 .5978 1.02 |
|
O7 .3359 0 .2911 1.22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Potassic-chlorohastingsite |
| |
Oberti R, Ungaretti L, Cannillo E, Hawthorne F C |
|
American Mineralogist 78 (1993) 746-752 |
|
The mechanism of Cl incorporation in amphibole |
|
Sample: Cl(2) |
|
Locality: Sesia-Lanzo marble, Western Alps, Italy |
|
_database_code_amcsd 0001601 |
|
9.922 18.219 5.360 90 104.81 90 C2/m |
|
atom x y z occ Biso |
|
NaA 0 .5 0 .12 2.75 |
|
KA 0 .5 0 .18 2.75 |
|
NaAm .0344 .5 .0707 .06 3.38 |
|
KAm .0344 .5 .0707 .09 3.38 |
|
NaA2 0 .4645 0 .06 4.72 |
|
KA2 0 .4645 0 .09 4.72 |
|
Mg1 0 .0944 .5 .18 .73 |
|
Fe1 0 .0944 .5 .82 .73 |
|
Mg2 0 .1792 0 .31 .59 |
|
Fe2 0 .1792 0 .51 .59 |
|
Al2 0 .1792 0 .17 .59 |
|
Ti2 0 .1792 0 .01 .59 |
|
Mg3 0 0 0 .08 .71 |
|
Fe3 0 0 0 .92 .71 |
|
Ca4 0 .2806 .5 .93 .85 |
|
Na4 0 .2806 .5 .07 .85 |
|
Si1 .2779 .0861 .3006 .54 .49 |
|
Al1 .2779 .0861 .3006 .46 .49 |
|
Si2 .2911 .1735 .8113 .54 |
|
O1 .1039 .0915 .2131 .86 |
|
O2 .1215 .1777 .7365 .80 |
|
Cl3 .1031 0 .7021 .49 .93 |
|
F3 .1031 0 .7021 .07 .93 |
|
OH3 .1031 0 .7021 .44 .93 |
|
O3' .1611 0 .7337 1.22 |
|
O4 .3690 .2499 .7947 .92 |
|
O5 .3474 .1363 .0985 .89 |
|
O6 .3423 .1220 .5977 1.01 |
|
O7 .3338 0 .2977 1.33 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich58 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001609 |
|
10.0746 18.0337 5.2979 90 104.906 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1113 .0878 .2141 .8 |
|
O2 .1163 .1713 .7245 .8 |
|
O3 .1063 0 .7174 .8 |
|
O4 .3548 .2474 .7939 .8 |
|
O5 .3398 .1293 .098 1.1 |
|
O6 .3363 .1162 .5859 1.1 |
|
OH .3304 0 .3071 1.2 |
|
Si1 .283 .085 .3023 .4 |
|
Si2 .283 .1708 .8091 .85 .4 |
|
Ti .283 .1708 .8091 .15 .4 |
|
Mg1 0 .0897 .5 .6 |
|
Mg2 0 .1797 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .277 .5 .5 .9 |
|
Ca 0 .277 .5 .5 .9 |
|
K .0179 .5 .0427 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich59 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001610 |
|
10.0613 18.0314 5.2963 90 104.896 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1134 .0887 .2197 .8 |
|
O2 .1164 .172 .724 .8 |
|
OH .1072 0 .7188 .8 .8 |
|
F .1072 0 .7188 .2 .8 |
|
O4 .3562 .248 .7931 .8 |
|
O5 .3357 .1288 .0945 1.1 |
|
O6 .3387 .1152 .5893 1.1 |
|
O7 .3296 0 .3115 1.2 |
|
Si1 .2766 .0853 .3035 .4 |
|
Si2 .2843 .1712 .8103 .86 .4 |
|
Ti .2843 .1712 .8103 .14 .4 |
|
Mg1 0 .0891 .5 .6 |
|
Mg2 0 .1789 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2768 .5 .5 .9 |
|
Ca 0 .2768 .5 .5 .9 |
|
K .0198 .5 .0538 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich60 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001611 |
|
10.0427 18.0254 5.2922 90 104.875 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1135 .0887 .2173 .8 |
|
O2 .1125 .17 .7254 .8 |
|
OH .1044 0 .7149 .6 .8 |
|
F .1044 0 .7149 .4 .8 |
|
O4 .3545 .2467 .7892 .8 |
|
O5 .3375 .1285 .0953 1.1 |
|
O6 .3375 .1158 .5893 1.1 |
|
O7 .3316 0 .3146 1.2 |
|
Si1 .278 .0857 .2982 .4 |
|
Si2 .2827 .1704 .8111 .88 .4 |
|
Ti .2827 .1704 .8111 .12 .4 |
|
Mg1 0 .0906 .5 .6 |
|
Mg2 0 .1785 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2763 .5 .5 .9 |
|
Ca 0 .2763 .5 .5 .9 |
|
K .0252 .5 .0503 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich61 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001612 |
|
10.0262 18.0194 5.2871 90 104.874 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1118 .0888 .213 .8 |
|
O2 .1153 .17 .7255 .8 |
|
OH .104 0 .7163 .4 .8 |
|
F .104 0 .7163 .6 .8 |
|
O4 .3546 .2472 .792 .8 |
|
O5 .3383 .1281 .0957 1.1 |
|
O6 .3383 .116 .5918 1.1 |
|
O7 .3326 0 .3105 1.2 |
|
Si1 .2772 .0856 .2999 .4 |
|
Si2 .2844 .1706 .8118 .9 .4 |
|
Ti .2844 .1706 .8118 .1 .4 |
|
Mg1 0 .09 .5 .6 |
|
Mg2 0 .1789 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2762 .5 .5 .9 |
|
Ca 0 .2762 .5 .5 .9 |
|
K .0263 .5 .0578 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich62 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001613 |
|
10.0166 18.0189 5.2871 90 104.908 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1104 .0886 .2162 .8 |
|
O2 .1168 .1697 .7248 .8 |
|
OH .1025 0 .7164 .2 .8 |
|
F .1025 0 .7164 .8 .8 |
|
O4 .3563 .247 .7933 .8 |
|
O5 .3361 .1294 .0948 1.1 |
|
O6 .3361 .1166 .5897 1.1 |
|
O7 .334 0 .3196 1.2 |
|
Si1 .2764 .0846 .2985 .4 |
|
Si2 .2815 .1704 .8102 .94 .4 |
|
Ti .2815 .1704 .8102 .06 .4 |
|
Mg1 0 .0903 .5 .6 |
|
Mg2 0 .1796 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2757 .5 .5 .9 |
|
Ca 0 .2757 .5 .5 .9 |
|
K .025 .5 .0576 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Beny J-M, Raudsepp M, Hawthorne F C |
|
American Mineralogist 78 (1993) 980-987 |
|
The OH-F substitution in Ti-rich potassium richterite: Rietveld structure |
|
refinement and FTIR and micro-Raman spectroscopic studies of synthetic |
|
amphiboles in the system K2O-Na2O-CaO-MgO-SiO2-TiO2-H2O-HF |
|
Sample Rich63 |
|
Atomic parameters from ICSD |
|
_database_code_amcsd 0001614 |
|
10.0149 18.0099 5.2862 90 104.954 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1125 .0882 .2203 .8 |
|
O2 .1137 .1701 .7246 .8 |
|
F .1001 0 .7177 .8 |
|
O3 .355 .2482 .7925 .8 |
|
O4 .3367 .1295 .092 1.1 |
|
O5 .3367 .1167 .5938 1.1 |
|
O6 .3329 0 .3141 1.2 |
|
Si1 .2787 .0852 .3036 .4 |
|
Si2 .2832 .1702 .8066 .96 .4 |
|
Ti .2832 .1702 .8066 .04 .4 |
|
Mg1 0 .09 .5 .6 |
|
Mg2 0 .1796 0 .6 |
|
Mg3 0 0 0 .6 |
|
Na 0 .2765 .5 .5 .9 |
|
Ca 0 .2765 .5 .5 .9 |
|
K .0233 .5 .0518 .5 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Foitite |
|
MacDonald D J, Hawthorne F C, Grice J D |
|
American Mineralogist 78 (1993) 1299-1303 |
|
Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient |
|
tourmaline: Description and crystal structure |
|
Locality: likely White Queen mine, San Diego County, California, USA |
|
_database_code_amcsd 0001622 |
|
15.967 15.967 7.126 90 90 120 R3m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .84080 .25 .0282 .0282 .0237 .0141 0 0 |
|
AlY .06223 .93777 .4485 .333 .0060 .0060 .0122 .0021 .0005 -.0005 |
|
FeY .06223 .93777 .4485 .497 .0060 .0060 .0122 .0021 .0005 -.0005 |
|
MnY .06223 .93777 .4485 .080 .0060 .0060 .0122 .0021 .0005 -.0005 |
|
MgY .06223 .93777 .4485 .017 .0060 .0060 .0122 .0021 .0005 -.0005 |
|
LiY .06223 .93777 .4485 .073 .0060 .0060 .0122 .0021 .0005 -.0005 |
|
AlZ .26151 .29827 .4623 .982 .0069 .0061 .0056 .0033 -.0005 -.0003 |
|
FeZ .26151 .29827 .4623 .018 .0069 .0061 .0056 .0033 -.0005 -.0003 |
|
SiT .18988 .19193 .0730 .0046 .0047 .0056 .0021 .0003 .0002 |
|
B .88981 .11019 .6177 .0088 .0088 .0073 .0038 -.0002 .0002 |
|
OH1 0 0 .2931 .0432 .0432 .0075 .0216 0 0 |
|
O2 .93776 .06224 .5853 .0303 .0303 .0121 .0253 .0001 -.0001 |
|
OH3 .13427 .86573 .5649 .0104 .0104 .0058 .0002 .0007 -.0007 |
|
O4 .90631 .09369 .0058 .0076 .0076 .0085 .0008 -.0005 .0005 |
|
O5 .09452 .90548 -.0179 .0074 .0074 .0079 -.0002 -.0009 .0009 |
|
O6 .18786 .19831 .2977 .0085 .0076 .0050 .0024 .0006 -.0003 |
|
O7 .28601 .28512 -.0066 .0056 .0064 .0078 .0014 .0017 .0004 |
|
O8 .27138 .21049 .6319 .0117 .0073 .0093 .0058 -.0030 -.0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A1 |
|
_database_code_amcsd 0001655 |
|
9.748 17.842 5.287 90 104.12 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2811 .0857 .2929 .41 |
|
Si2 .2889 .1710 .7998 .42 |
|
Mg1 0 .0823 .5 .57 .72 |
|
Al1 0 .0823 .5 .025 .72 |
|
Ti1 0 .0823 .5 .205 .72 |
|
Fe1 0 .0823 .5 .13 .72 |
|
Mn1 0 .0823 .5 .07 .72 |
|
Mg2 0 .1796 0 .415 .48 |
|
Al2 0 .1796 0 .045 .48 |
|
Fe2 0 .1796 0 .35 .48 |
|
Mn2 0 .1796 0 .19 .48 |
|
Li3 0 0 0 .67 .69 |
|
Mg3 0 0 0 .33 .69 |
|
Na4 0 .2751 .5 .95 1.17 |
|
Ca4 0 .2751 .5 .05 1.17 |
|
NaA 0 .5 0 .16 6.5 |
|
KA 0 .5 0 .03 6.5 |
|
NaAm .0508 .5 .1091 .16 2.87 |
|
KAm .0508 .5 .1091 .03 2.87 |
|
NaA2 0 .4680 0 .16 4.68 |
|
KA2 0 .4680 0 .03 4.68 |
|
H .1867 0 .7577 .485 2.65 |
|
O1 .1115 .0886 .2159 .63 |
|
O2 .1178 .1668 .7270 .60 |
|
O3 .1104 0 .6965 .41 .76 |
|
Oh3 .1104 0 .6965 .485 .76 |
|
F3 .1104 0 .6965 .105 .76 |
|
O4 .3605 .2508 .8018 .80 |
|
O5 .3500 .1280 .0816 .74 |
|
O6 .3456 .1198 .5823 .73 |
|
O7 .3394 0 .2979 .84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A2 |
|
_database_code_amcsd 0001656 |
|
9.790 17.848 5.287 90 104.10 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2785 .0862 .2934 .99 .43 |
|
Al1 .2785 .0862 .2934 .01 .43 |
|
Si2 .2889 .1712 .8023 .99 .43 |
|
Al2 .2889 .1712 .8023 .01 .43 |
|
Mg1 0 .0865 .5 .83 .54 |
|
Al1 0 .0865 .5 .04 .54 |
|
Fe1 0 .0865 .5 .10 .54 |
|
Mn1 0 .0865 .5 .03 .54 |
|
Mg2 0 .1796 0 .16 .48 |
|
Al2 0 .1796 0 .05 .48 |
|
Fe2 0 .1796 0 .61 .48 |
|
Mn2 0 .1796 0 .18 .48 |
|
Li3 0 0 0 .74 .79 |
|
Mg3 0 0 0 .26 .79 |
|
Na4 0 .2764 .5 .98 1.14 |
|
Ca4 0 .2764 .5 .02 1.14 |
|
NaA 0 .5 0 .15 3.01 |
|
KA 0 .5 0 .04 3.01 |
|
NaAm .0480 .5 .1028 .15 2.28 |
|
KAm .0480 .5 .1028 .04 2.28 |
|
NaA2 0 .4744 0 .15 4.87 |
|
KA2 0 .4744 0 .04 4.87 |
|
H .1826 0 .7335 .64 2.55 |
|
O1 .1102 .0905 .2146 .65 |
|
O2 .1186 .1694 .7315 .66 |
|
O3 .1115 0 .7002 .11 .96 |
|
Oh3 .1115 0 .7002 .64 .96 |
|
F3 .1115 0 .7002 .24 .96 |
|
O4 .3632 .2504 .8018 .81 |
|
O5 .3497 .1285 .0851 .77 |
|
O6 .3435 .1192 .5845 .73 |
|
O7 .3348 0 .2963 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A3 |
|
Note: Site occupancies are set to be the same as ones in sample A2 |
|
_database_code_amcsd 0001657 |
|
9.822 17.836 5.286 90 104.37 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2780 .0862 .2944 .99 .46 |
|
Al1 .2780 .0862 .2944 .01 .46 |
|
Si2 .2883 .1712 .8018 .99 .45 |
|
Al2 .2883 .1712 .8018 .01 .45 |
|
Mg1 0 .0848 .5 .83 .70 |
|
Al1 0 .0848 .5 .04 .70 |
|
Fe1 0 .0848 .5 .10 .70 |
|
Mn1 0 .0848 .5 .03 .70 |
|
Mg2 0 .1796 0 .16 .50 |
|
Al2 0 .1796 0 .05 .50 |
|
Fe2 0 .1796 0 .61 .50 |
|
Mn2 0 .1796 0 .18 .50 |
|
Li3 0 0 0 .74 .69 |
|
Mg3 0 0 0 .26 .69 |
|
Na4 0 .2763 .5 .98 1.21 |
|
Ca4 0 .2763 .5 .02 1.21 |
|
NaA 0 .5 0 .15 4.51 |
|
KA 0 .5 0 .04 4.51 |
|
NaAm .0399 .5 .0930 .15 2.81 |
|
KAm .0399 .5 .0930 .04 2.81 |
|
NaA2 0 .4766 0 .15 4.14 |
|
KA2 0 .4766 0 .04 4.14 |
|
H .1845 0 .7705 .64 3.11 |
|
O1 .1100 .0905 .2154 .71 |
|
O2 .1184 .1685 .7284 .76 |
|
O3 .1110 0 .6975 .11 .91 |
|
Oh3 .1110 0 .6975 .64 .91 |
|
F3 .1110 0 .6975 .24 .91 |
|
O4 .3623 .2504 .8027 .89 |
|
O5 .3486 .1281 .0850 .74 |
|
O6 .3436 .1193 .5854 .74 |
|
O7 .3338 0 .2983 .94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferri-eckermannite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A4 |
|
Note: Site occupancies are set to be the same as ones in sample A5 |
|
_database_code_amcsd 0001658 |
|
9.771 17.887 5.289 90 103.82 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2805 .0857 .2930 .99 .39 |
|
Al1 .2805 .0857 .2930 .01 .39 |
|
Si2 .2885 .1714 .8017 .99 .40 |
|
Al2 .2885 .1714 .8017 .01 .40 |
|
Mg1 0 .0882 .5 .93 .52 |
|
All 0 .0882 .5 .04 .52 |
|
Fe1 0 .0882 .5 .027 .52 |
|
Mn1 0 .0882 .5 .003 .52 |
|
Mg2 0 .1809 0 .36 .47 |
|
Ti2 0 .1809 0 .02 .47 |
|
Fe2 0 .1809 0 .56 .47 |
|
Mn2 0 .1809 0 .06 .47 |
|
Li3 0 0 0 .24 .54 |
|
Mg3 0 0 0 .76 .54 |
|
Na4 0 .2765 .5 .95 1.09 |
|
Ca4 0 .2765 .5 .05 1.09 |
|
NaA 0 .5 0 .11 5.08 |
|
KA 0 .5 0 .04 5.08 |
|
NaAm .0478 .5 .1035 .11 2.93 |
|
KAm .0478 .5 .1035 .04 2.93 |
|
NaA2 0 .4678 0 .11 4.52 |
|
KA2 0 .4678 0 .04 4.52 |
|
H .1891 0 .7547 4.13 |
|
O1 .1112 .0881 .2137 .54 |
|
O2 .1182 .1695 .7326 .57 |
|
Oh3 .1089 0 .7083 .79 .76 |
|
F3 .1089 0 .7083 .21 .76 |
|
O4 .3629 .2504 .7997 .74 |
|
O5 .3493 .1295 .0848 .75 |
|
O6 .3425 .1195 .5833 .71 |
|
O7 .3370 0 .2957 .83 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ferri-eckermannite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A5 |
|
_database_code_amcsd 0001659 |
|
9.779 17.888 5.287 90 103.85 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2802 .0857 .2932 .99 .40 |
|
Al1 .2802 .0857 .2932 .01 .40 |
|
Si2 .2884 .1713 .8016 .99 .42 |
|
Al2 .2884 .1713 .8016 .01 .42 |
|
Mg1 0 .0877 .5 .93 .56 |
|
Al1 0 .0877 .5 .04 .56 |
|
Fe1 0 .0877 .5 .027 .56 |
|
Mn1 0 .0877 .5 .003 .56 |
|
Mg2 0 .1807 0 .36 .47 |
|
Ti2 0 .1807 0 .02 .47 |
|
Fe2 0 .1807 0 .56 .47 |
|
Mn2 0 .1807 0 .06 .47 |
|
Li3 0 0 0 .24 .55 |
|
Mg3 0 0 0 .76 .55 |
|
Na4 0 .2764 .5 .95 1.07 |
|
Ca4 0 .2764 .5 .05 1.07 |
|
NaA 0 .5 0 .11 4.36 |
|
KA 0 .5 0 .04 4.36 |
|
NaAm .0479 .5 .1014 .11 2.81 |
|
KAm .0479 .5 .1014 .04 2.81 |
|
NaA2 0 .4654 0 .11 3.85 |
|
KA2 0 .4654 0 .04 3.85 |
|
H .1739 0 .7437 1.58 |
|
O1 .1111 .0882 .2142 .55 |
|
O2 .1182 .1693 .7318 .60 |
|
Oh3 .1091 0 .7075 .79 .77 |
|
F3 .1091 0 .7075 .21 .77 |
|
O4 .3627 .2503 .7996 .77 |
|
O5 .3492 .1294 .0849 .74 |
|
O6 .3426 .1193 .5836 .72 |
|
O7 .3369 0 .2956 .85 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Curetonite |
|
Cooper M A, Hawthorne F C |
|
American Mineralogist 79 (1994) 545-549 |
|
The crystal structure of curetonite, a complex heteropolyhedral sheet mineral |
|
Data has been corrected according to the ICSD |
|
_database_code_amcsd 0001660 |
|
6.977 12.564 5.223 90 102.15 90 P2_1/n |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba .31601 .30290 .45914 .0135 .0123 .0219 -.0017 -.0044 .0053 |
|
P .3036 .1135 -.0694 .0093 .0073 .0087 -.0004 .0016 -.0008 |
|
Al1 0 .5 0 .66 .0211 .0078 .0081 -.0052 .0048 -.0016 |
|
Ti 0 .5 0 .34 .0211 .0078 .0081 -.0052 .0048 -.0016 |
|
Al2 .5 .5 0 .0092 .0094 .0100 .0012 .0023 .0016 |
|
O1 .2105 .2235 -.0701 .0161 .0109 .0167 .0021 .0056 .0007 |
|
O2 .4330 .0927 .2030 .0172 .0106 .0105 .0011 -.0010 .0012 |
|
O3 -.0584 .3858 .2290 .0105 .0113 .0121 .0005 .0044 .0007 |
|
O4 .2636 .4474 .0679 .0085 .0131 .0123 .0034 .0054 .0052 |
|
O5 .6445 .4724 .3497 .0132 .0155 .0099 .0059 .0023 .0037 |
|
F .0521 .1306 .3945 .0130 .0113 .0176 -.0016 .0015 .0010 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Kombatite |
|
Cooper M A, Hawthorne F C |
|
American Mineralogist 79 (1994) 550-554 |
|
The crystal structure of kombatite, Pb14(VO4)2O9Cl4, a complex heteropolyhedral |
|
sheet mineral |
|
_database_code_amcsd 0001661 |
|
12.682 22.566 11.279 90 118.11 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) |
|
Pb1 .1136 .0841 .1807 .0104 .0128 .0114 .0011 .0058 -.0021 |
|
Pb2 .3706 .0876 .0761 .0114 .0155 .0135 -.0023 .0057 -.0025 |
|
Pb3 .1271 .4219 .4547 .0146 .0122 .0122 .0019 .0077 .0011 |
|
Pb4 .3780 .4174 .3074 .0132 .0133 .0106 .0040 .0069 -.0016 |
|
Pb5 .3541 .1948 .3001 .0142 .0101 .0154 -.0007 .0082 -.0009 |
|
Pb6 .1213 .1988 .4211 .0135 .0136 .0136 -.0039 .0070 -.0040 |
|
Pb7 .3998 .3034 .0617 .0095 .0119 .0142 .0008 .0063 .0003 |
|
V .1360 .3214 .1765 .0090 |
|
Cl1 .372 .4957 .060 .0204 |
|
Cl2 .3739 .0134 .2982 .0159 |
|
O1 .238 .146 .114 .0149 |
|
O2 .253 .135 .381 .0197 |
|
O3 .476 .358 .487 .0032 |
|
O4 .010 .351 .045 .0206 |
|
O5 .251 .340 .143 .0125 |
|
O6 0 .145 .25 .0119 |
|
O7 .5 .145 .25 .0145 |
|
O8 .5 .368 .25 .0188 |
|
O9 .172 .352 .328 .0266 |
|
O10 .104 .249 .172 .0651 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Pinchite |
|
Hawthorne F C, Cooper M A, Sen Gupta P K |
|
American Mineralogist 79 (1994) 1199-1203 |
|
The crystal structure of pinchite, Hg5Cl2O4 |
|
_database_code_amcsd 0001692 |
|
11.619 6.105 11.710 90 90 90 Ibam |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 .1405 .2145 0 .0170 .0171 .0112 .0001 0 0 |
|
Hg2 .1618 .5 .25 .0222 .0112 .0153 0 0 -.0025 |
|
Hg3 0 0 .25 .0117 .0186 .0379 0 0 0 |
|
Cl .1082 .275 .5 .0088 .0275 .0272 .0027 0 0 |
|
O .144 .199 .1754 .0300 .0163 .0114 -.0066 -.0037 .0006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ungarettiite |
| |
Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M |
|
American Mineralogist 80 (1995) 165-172 |
|
A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales, |
|
Australia: Description and crystal structure of ungarettiite, |
|
NaNa2(Mn2Mn3)Si8O22O2 |
|
Sample U1 |
|
_database_code_amcsd 0001714 |
|
9.889 18.033 5.296 90 105.08 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1201 .0832 .2075 .69 |
|
O2 .1170 .1594 .7087 .64 |
|
O3 .0913 0 .7186 .64 |
|
O4 .3488 .2484 .7904 .96 |
|
O5 .3504 .1263 .0716 .86 |
|
O6 .3486 .1185 .5752 .84 |
|
O7 .3502 0 .2934 .93 |
|
Si1 .2885 .0840 .2863 .51 |
|
Si2 .2870 .1680 .7861 .50 |
|
Mn1 0 .0814 .5 .47 |
|
Mn2 0 .1834 0 .89 .61 |
|
Mg2 0 .1834 0 .11 .61 |
|
Mn3 0 0 0 .94 .42 |
|
Mg3 0 0 0 .06 .42 |
|
Na4 0 .2730 .5 .985 1.58 |
|
Ca4 0 .2730 .5 .015 1.58 |
|
NaAm .0362 .5 .0782 .207 2.77 |
|
KAm .0362 .5 .0782 .038 2.77 |
|
NaA2 0 .4873 0 .207 2.68 |
|
KA2 0 .4873 0 .038 2.68 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ungarettiite |
| |
Hawthorne F C, Oberti R, Cannillo E, Sardone N, Zanetti A, Grice J D, Ashley P M |
|
American Mineralogist 80 (1995) 165-172 |
|
A new anhydrous amphibole from the Hoskins mine, Grenfell, New South Wales, |
|
Australia: Description and crystal structure of ungarettiite, |
|
NaNa2(Mn2Mn3)Si8O22O2 |
|
Sample U2 |
|
_database_code_amcsd 0001715 |
|
9.893 18.041 5.295 90 105.10 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1200 .0832 .2085 .63 |
|
O2 .1171 .1592 .7079 .63 |
|
O3 .0914 0 .7186 .72 |
|
O4 .3490 .2485 .7906 .94 |
|
O5 .3504 .1262 .0712 .85 |
|
O6 .3488 .1186 .5755 .83 |
|
O7 .3502 0 .2941 .93 |
|
Si1 .2885 .0841 .2862 .47 |
|
Si2 .2870 .1680 .7863 .50 |
|
Mn1 0 .0815 .5 .47 |
|
Mn2 0 .1834 0 .89 .58 |
|
Mg2 0 .1834 0 .11 .58 |
|
Mn3 0 0 0 .93 .40 |
|
Mg3 0 0 0 .07 .40 |
|
Na4 0 .2729 .5 .985 1.47 |
|
Ca4 0 .2729 .5 .015 1.47 |
|
Na2 .0364 .5 .0794 .2 2.98 |
|
KAm .0364 .5 .0794 .038 2.98 |
|
NaA2 0 .4896 0 .2 3.04 |
|
KA2 0 .4896 0 .038 3.04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Sinkankasite |
|
Burns P C, Hawthorne F C |
|
American Mineralogist 80 (1995) 620-627 |
|
The crystal structure of sinkankasite, a complex heteropolyhedral sheet mineral |
|
Locality: Barker pegmatite, near Keystone, Pennington County, South Dakota, USA |
|
_database_code_amcsd 0001744 |
|
9.590 9.818 6.860 108.04 99.63 98.87 P-1 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn .2887 .9520 .6821 .0240 .0184 .0039 .0051 .0054 .0065 |
|
P1 .2971 .6566 .2606 .0186 .0161 .0041 .0059 .0041 .0073 |
|
P2 .2914 .2566 .1038 .0187 .0132 .0038 .0019 .0040 .0058 |
|
Al1 .5 .5 .5 .0149 .0123 .0001 .0030 .0026 .0056 |
|
Al2 .5 .5 0 .0190 .0135 .0001 .0050 .0049 .0065 |
|
O1 .2899 .8156 .3614 .0328 .0192 .0072 .0113 .0080 .0079 |
|
O2 .3909 .6426 .1003 .0312 .0227 .0023 .0104 .0097 .0105 |
|
O3 .3476 .5873 .4219 .0225 .0202 .0022 .0063 .0049 .0098 |
|
O4 .3857 .3101 .3259 .0261 .0156 .0041 .0003 .0029 .0072 |
|
O5 .3458 .3474 -.0230 .0293 .0183 .0048 .0021 .0039 .0102 |
|
O6 .2786 .0938 .9937 .0295 .0172 .0076 .0053 .0066 .0077 |
|
Oh1 .1363 .5740 .1438 .0211 .0303 .0240 .0039 -.0001 .0125 |
|
Oh2 .5789 .5165 .2761 .0190 .0176 .0001 .0039 .0036 .0074 |
|
Oh3 .1351 .2826 .1225 .0250 .0224 .0128 -.0005 .0052 .0063 |
|
OW1 .2967 .7677 .7887 .0505 .0274 .0117 .0155 .0128 .0121 |
|
OW2 .5186 .0040 .7596 .0255 .0356 .0354 .0058 .0071 .0291 |
|
OW3 .2930 .1405 .5798 .0397 .0232 .0058 .0023 .0051 .0071 |
|
OW4 .0573 .8887 .5972 .0291 .0354 .0308 .0081 .0121 .0115 |
|
OW5 .0834 .9186 .1365 .0256 .0307 .0194 .0053 .0026 .0145 |
|
OW6 -.0907 .5932 .4146 .0659 .0542 .0620 -.0024 .0222 .0212 |
|
H1 .106 .470 .073 .03 |
|
H2 .678 .547 .351 .03 |
|
H3 .063 .193 .055 .03 |
|
H4 .379 .737 .740 .03 |
|
H5 .290 .667 .710 .03 |
|
H6 .591 .071 .732 .03 |
|
H7 .580 -.041 .834 .03 |
|
H8 .397 .160 .613 .03 |
|
H9 .288 .233 .676 .03 |
|
H10 .015 .785 .545 .03 |
|
H11 .000 .947 .675 .03 |
|
H12 .139 .858 .186 .03 |
|
H13 .081 .998 .259 .03 |
|
H14 -.148 .527 .465 .03 |
|
H15 -.067 .510 .319 .03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorocannilloite |
| |
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 81 (1996) 995-1002 |
|
A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from |
|
Pargas, Finland |
|
Sample: C1 |
|
_database_code_amcsd 0001823 |
|
9.816 17.899 5.297 90 105.35 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1057 .0875 .2156 .81 |
|
O2 .1197 .1730 .7367 .70 |
|
OH3 .1076 0 .7149 .27 .98 |
|
F3 .1076 0 .7149 .73 .98 |
|
O4 .3674 .2517 .7895 .92 |
|
O5 .3532 .1413 .1149 1.01 |
|
O6 .3457 .1167 .6142 1.08 |
|
O7 .3451 0 .2755 1.21 |
|
Si1 .2819 .0855 .3044 .57 .50 |
|
Al1 .2819 .0855 .3044 .43 .50 |
|
Si2 .2919 .1737 .8156 .50 |
|
Mg1 0 .0894 .5 .94 .58 |
|
Fe1 0 .0894 .5 .06 .58 |
|
Mg2 0 .1753 0 .49 .56 |
|
Al2 0 .1753 0 .39 .56 |
|
Ti2 0 .1753 0 .01 .56 |
|
Fe2 0 .1753 0 .11 .56 |
|
Mg3 0 0 0 .93 .58 |
|
Fe3 0 0 0 .07 .58 |
|
Ca4 0 .2795 .5 .97 .71 |
|
Mn4 0 .2795 .5 .02 .71 |
|
Fe4 0 .2795 .5 .01 .71 |
|
Ca4' 0 .2657 .5 .97 2.66 |
|
Mn4' 0 .2657 .5 .02 2.66 |
|
Fe4' 0 .2657 .5 .01 2.66 |
|
NaA 0 .5 0 .14 4.90 |
|
KA 0 .5 0 .01 4.90 |
|
CaA 0 .5 0 .17 4.90 |
|
NaAm .0515 .5 .1089 .14 3.76 |
|
KAm .0515 .5 .1089 .01 3.76 |
|
CaAm .0515 .5 .1089 .17 3.76 |
|
NaA2 0 .4675 0 .14 1.98 |
|
KA2 0 .4675 0 .01 1.98 |
|
CaAm 0 .4675 0 .17 1.98 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorocannilloite |
| |
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 81 (1996) 995-1002 |
|
A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from |
|
Pargas, Finland |
|
Sample: C2 |
|
_database_code_amcsd 0001824 |
|
9.826 17.906 5.301 90 105.41 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1053 .0878 .2153 .78 |
|
O2 .1194 .1732 .7371 .67 |
|
OH3 .1072 0 .7149 .23 .95 |
|
F3 .1072 0 .7149 .77 .95 |
|
O4 .3675 .2518 .7899 .89 |
|
O5 .3531 .1415 .1153 .94 |
|
O6 .3457 .1167 .6156 1.04 |
|
O7 .3448 0 .2766 1.23 |
|
Si1 .2815 .0857 .3049 .41 .48 |
|
Al1 .2815 .0857 .3049 .59 .48 |
|
Si2 .2918 .1738 .8163 .46 |
|
Mg1 0 .0895 .5 .93 .56 |
|
Fe1 0 .0895 .5 .07 .56 |
|
Mg2 0 .1753 0 .47 .51 |
|
Al2 0 .1753 0 .41 .51 |
|
Ti2 0 .1753 0 .01 .51 |
|
Fe2 0 .1753 0 .11 .51 |
|
Mg3 0 0 0 .92 .55 |
|
Fe3 0 0 0 .08 .55 |
|
Ca4 0 .2797 .5 .96 .69 |
|
Mn4 0 .2797 .5 .02 .69 |
|
Fe4 0 .2797 .5 .02 .69 |
|
Ca4' 0 .2655 .5 .93 1.14 |
|
Mn4' 0 .2655 .5 .02 1.14 |
|
Fe4' 0 .2655 .5 .02 1.14 |
|
NaA 0 .5 0 .11 5.39 |
|
KA 0 .5 0 .04 5.39 |
|
CaA 0 .5 0 .16 5.39 |
|
NaAm .0576 .5 .1212 .11 1.40 |
|
KAm .0576 .5 .1212 .04 1.40 |
|
CaAm .0576 .5 .1212 .16 1.40 |
|
NaA2 0 .4680 0 .11 2.72 |
|
KA2 0 .4680 0 .04 2.72 |
|
CaA2 0 .4680 0 .16 2.72 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluorocannilloite |
| |
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 81 (1996) 995-1002 |
|
A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from |
|
Pargas, Finland |
|
Sample: C3 |
|
_database_code_amcsd 0001825 |
|
9.836 17.921 5.306 90 105.40 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1053 .0880 .2154 .81 |
|
O2 .1194 .1733 .7373 .70 |
|
OH3 .1075 0 .7152 .33 .93 |
|
F3 .1075 0 .7152 .67 .93 |
|
O4 .3675 .2519 .7896 .89 |
|
O5 .3531 .1414 .1153 .93 |
|
O6 .3454 .1168 .6156 1.04 |
|
O7 .3444 0 .2773 1.26 |
|
Si1 .2814 .0857 .3050 .42 .48 |
|
Al1 .2814 .0857 .3050 .58 .48 |
|
Si2 .2919 .1738 .8165 .46 |
|
Mg1 0 .0896 .5 .92 .55 |
|
Fe1 0 .0896 .5 .08 .55 |
|
Mg2 0 .1754 0 .45 .51 |
|
Al2 0 .1754 0 .42 .51 |
|
Ti2 0 .1754 0 .01 .51 |
|
Fe2 0 .1754 0 .12 .51 |
|
Mg3 0 0 0 .92 .55 |
|
Fe3 0 0 0 .08 .55 |
|
Ca4 0 .2800 .5 .97 .61 |
|
Mn4 0 .2800 .5 .03 .61 |
|
Ca4' 0 .2692 .5 .97 1.16 |
|
Mn4' 0 .2692 .5 .03 1.16 |
|
NaA 0 .5 0 .12 6.29 |
|
KA 0 .5 0 .05 6.29 |
|
CaA 0 .5 0 .16 6.29 |
|
NaAm .0521 .5 .1107 .12 2.97 |
|
KAm .0521 .5 .1107 .05 2.97 |
|
CaAm .0521 .5 .1107 .16 2.97 |
|
NaA2 0 .4675 0 .12 1.71 |
|
KA2 0 .4675 0 .05 1.71 |
|
CaA2 0 .4675 0 .16 1.71 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pargasite |
|
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 81 (1996) 995-1002 |
|
A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from |
|
Pargas, Finland |
|
Sample: BMS |
|
_database_code_amcsd 0001826 |
|
9.889 17.978 5.298 90 105.41 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1064 .0872 .2179 .74 |
|
O2 .1193 .1726 .7323 .70 |
|
Oh3 .1056 0 .7143 .23 .79 |
|
F3 .1056 0 .7143 .77 .79 |
|
O4 .3660 .2508 .7916 .90 |
|
O5 .3503 .1394 .1121 1.0 |
|
O6 .3453 .1175 .6110 1.0 |
|
O7 .3411 0 .2871 1.24 |
|
Si1 .2798 .0855 .3051 .53 .49 |
|
Al1 .2798 .0855 .3051 .47 .49 |
|
Si2 .2903 .1733 .8141 .52 |
|
Mg1 0 .0892 .5 .53 |
|
Mg2 0 .1756 0 .71 .52 |
|
Al2 0 .1756 0 .18 .52 |
|
Ti2 0 .1756 0 .02 .52 |
|
Fe2 0 .1756 0 .09 .52 |
|
Mg3 0 0 0 .90 .56 |
|
Fe3 0 0 0 .02 .56 |
|
Al3 0 0 0 .08 .56 |
|
Ca4 0 .2796 .5 .74 |
|
NaA 0 .5 0 .15 .91 |
|
KA 0 .5 0 .13 .91 |
|
CaA 0 .5 0 .05 .91 |
|
NaAm .0321 .5 .0681 .15 2.99 |
|
KAm .0321 .5 .0681 .13 2.99 |
|
CaAm .0321 .5 .0681 .05 2.99 |
|
NaA2 0 .4729 0 .15 2.77 |
|
KAm 0 .4729 0 .13 2.77 |
|
CaA2 0 .4729 0 .05 2.77 |
|
H .1688 0 .6402 7.9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Mg(100) |
|
_database_code_amcsd 0001875 |
|
9.9076 17.988 5.2706 90 104.252 90 C2/m |
|
atom x y z occ |
|
Si1 .2808 .0853 .2977 |
|
Si2 .2847 .1697 .7973 |
|
Mg1 0 .0892 .5 |
|
Mg2 0 .1772 0 |
|
Mg3 0 0 0 |
|
Ca4 0 .2751 .5 .525 |
|
Na4 0 .2751 .5 .475 |
|
NaA 0 .4791 0 .95 |
|
O1 .1165 .0870 .2234 |
|
O2 .1079 .1695 .7169 |
|
O3 .1066 0 .7120 |
|
O4 .3538 .2493 .7796 |
|
O5 .3433 .1296 .0863 |
|
O6 .3389 .1122 .5966 |
|
O7 .3379 0 .3025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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| |
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Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
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Sample: Ni20 |
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_database_code_amcsd 0001876 |
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9.9073 17.978 5.2669 90 104.303 90 C2/m |
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atom x y z occ |
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Si1 .2796 .0849 .2940 |
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Si2 .2852 .1702 .8016 |
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Mg1 0 .0889 .5 .77 |
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Ni1 0 .0889 .5 .23 |
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Mg2 0 .1767 0 .89 |
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Ni2 0 .1767 0 .11 |
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Mg3 0 0 0 .70 |
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Ni3 0 0 0 .30 |
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Ca4 0 .2757 .5 .545 |
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Na4 0 .2757 .5 .455 |
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Na 0 .4835 0 .91 |
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O1 .1153 .0869 .2171 |
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O2 .1110 .1698 .7233 |
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O3 .1108 0 .7075 |
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O4 .3579 .2480 .7778 |
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O5 .3428 .1307 .0871 |
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O6 .3364 .1134 .5925 |
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O7 .3337 0 .2943 |
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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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni40 |
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_database_code_amcsd 0001877 |
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9.9024 17.965 5.2603 90 104.361 90 C2/m |
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atom x y z occ |
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Si1 .2863 .0857 .3002 |
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Si2 .2815 .1681 .7954 |
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Mg1 0 .0887 .5 .51 |
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Ni1 0 .0887 .5 .49 |
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Mg2 0 .1769 0 .73 |
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Ni2 0 .1769 0 .27 |
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Mg3 0 0 0 .48 |
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Ni3 0 0 0 .52 |
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Ca4 0 .2749 .5 .56 |
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Na4 0 .2749 .5 .44 |
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NaA 0 .4835 0 .88 |
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O1 .1186 .0886 .2217 |
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O2 .0992 .1698 .7145 |
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O3 .1055 0 .7119 |
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O4 .3533 .2486 .7747 |
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O5 .3411 .1291 .0805 |
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O6 .3407 .1111 .5987 |
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O7 .3379 0 .2912 |
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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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni60 |
|
_database_code_amcsd 0001878 |
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9.8956 17.948 5.2567 90 104.413 90 C2/m |
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atom x y z occ |
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Si1 .2811 .0857 .2979 |
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Si2 .2857 .1694 .7990 |
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Mg1 0 .0885 .5 .30 |
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Ni1 0 .0885 .5 .70 |
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Mg2 0 .1777 0 .55 |
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Ni2 0 .1777 0 .45 |
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Mg3 0 0 0 .25 |
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Ni3 0 0 0 .75 |
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Ca4 0 .2745 .5 .535 |
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Na4 0 .2745 .5 .465 |
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NaA 0 .4812 0 .93 |
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O1 .1132 .0875 .2211 |
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O2 .1110 .1681 .7229 |
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O3 .1066 0 .7067 |
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O4 .3584 .2481 .7739 |
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O5 .3455 .1300 .0914 |
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O6 .3435 .1121 .5989 |
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O7 .3415 0 .3070 |
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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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni80 |
|
_database_code_amcsd 0001879 |
|
9.8886 17.933 5.2525 90 104.461 90 C2/m |
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atom x y z occ |
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Si1 .2790 .0847 .2941 |
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Si2 .2886 .1696 .8039 |
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Mg1 0 .0890 .5 .12 |
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Ni1 0 .0890 .5 .88 |
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Mg2 0 .1777 0 .32 |
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Ni2 0 .1777 0 .68 |
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Mg3 0 0 0 .13 |
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Ni3 0 0 0 .87 |
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Ca4 0 .2739 .5 .5 |
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Na4 0 .2739 .5 .5 |
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NaA 0 .4770 0 |
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O1 .1106 .0872 .2138 |
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O2 .1171 .1683 .7296 |
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O3 .1055 0 .7129 |
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O4 .3598 .2467 .7802 |
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O5 .3459 .1305 .0911 |
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O6 .3434 .1124 .5925 |
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O7 .3430 0 .2980 |
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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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Ni100 |
|
_database_code_amcsd 0001880 |
|
9.8927 17.926 5.2534 90 104.480 90 C2/m |
|
atom x y z occ |
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Si1 .2795 .0857 .2978 |
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Si2 .2879 .1702 .8065 |
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Ni1 0 .0882 .5 |
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Ni2 0 .1768 0 |
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Ni3 0 0 0 |
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Ca4 0 .2741 .5 .51 |
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Na4 0 .2741 .5 .49 |
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NaA 0 .4783 0 |
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O1 .1111 .0862 .2141 |
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O2 .1152 .1689 .7272 |
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O3 .1067 0 .7102 |
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O4 .3581 .2476 .7772 |
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O5 .3475 .1307 .1023 |
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O6 .3400 .1122 .5999 |
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O7 .3424 0 .3000 |
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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
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co20 |
|
_database_code_amcsd 0001881 |
|
9.9180 17.999 5.2714 90 104.246 90 C2/m |
|
atom x y z occ |
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Si1 .2822 .0854 .2953 |
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Si2 .2821 .1699 .7983 |
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Mg1 0 .0893 .5 .77 |
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Co1 0 .0893 .5 .23 |
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Mg2 0 .1789 0 .80 |
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Co2 0 .1789 0 .20 |
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Mg3 0 0 0 .77 |
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Co3 0 0 0 .23 |
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Ca4 0 .2742 .5 .55 |
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Na4 0 .2742 .5 .45 |
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NaA 0 .4794 0 .91 |
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O1 .1163 .0879 .2163 |
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O2 .1057 .1703 .7226 |
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O3 .1065 0 .7102 |
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O4 .3554 .2474 .7775 |
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O5 .3418 .1309 .0828 |
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O6 .3402 .1132 .5915 |
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O7 .3397 0 .3037 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Richterite |
|
Della Ventura G, Robert J-L, Raudsepp M, Hawthorne F C, Welch M D |
|
American Mineralogist 82 (1997) 291-301 |
|
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure |
|
refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite |
|
Sample: Co40 |
|
_database_code_amcsd 0001882 |
|
9.9312 18.015 5.2731 90 104.245 90 C2/m |
|
atom x y z occ |
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Si1 .2831 .0860 .2973 |
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Si2 .2831 .1705 .7968 |
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Mg1 0 .0891 .5 .54 |
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Co1 0 .0891 .5 .46 |
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Mg2 0 .1793 0 .62 |
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Co2 0 .1793 0 .38 |
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Mg3 0 0 0 .53 |
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Co3 0 0 0 .47 |
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Ca4 0 .2738 .5 .55 |
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Na4 0 .2738 .5 .45 |
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NaA 0 .4817 0 .88 |
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O1 .1178 .0893 .2156 |
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O2 .1089 .1699 .7221 |
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O3 .1094 0 .7144 |
|
O4 .3584 .2469 .7862 |
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O5 .3450 .1303 .0837 |
|
O6 .3408 .1143 .5910 |
|
O7 .3400 0 .2826 |
|
|
| 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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