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Semenovite-(Ce) |
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Mazzi F, Ungaretti L, Dal Negro A, Petersen O V, Ronsbo J G |
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American Mineralogist 64 (1979) 202-210 |
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The crystal structure of semenovite |
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_database_code_amcsd 0000705 |
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13.879 13.835 9.942 90 90 90 Pmnn |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ce1 .1390 0 0 .80 .0012 .0015 .0028 0 0 -.0003 |
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Na1 .1390 0 0 .14 .0012 .0015 .0028 0 0 -.0003 |
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Na2 .1349 0 .5 .56 .0053 .0067 .0087 0 0 .0013 |
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Ce2 .1349 0 .5 .20 .0053 .0067 .0087 0 0 .0013 |
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Fe3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001 |
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Mn3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001 |
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Fe4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012 |
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Mn4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012 |
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Ca5 .1385 .2097 .0128 .52 .0015 .0022 .0023 .0008 .0002 .0001 |
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Na5 .1385 .2097 .0128 .48 .0015 .0022 .0023 .0008 .0002 .0001 |
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Na6 .1431 .3060 .5053 .87 .0017 .0038 .0040 .0010 .0004 -.0013 |
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Ca6 .1431 .3060 .5053 .13 .0017 .0038 .0040 .0010 .0004 -.0013 |
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Si1 .3373 -.0044 .2532 .0013 .0018 .0040 .0004 -.0003 .0000 |
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Si2 .2045 .1509 .2789 .80 .0007 .0011 .0021 .0000 -.0002 -.0001 |
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Be2 .2045 .1509 .2789 .20 .0007 .0011 .0021 .0000 -.0002 -.0001 |
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Be3 .2043 .1547 .7769 .80 .0015 .0033 .0044 .0001 .0006 .0006 |
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Si3 .2043 .1547 .7769 .20 .0015 .0033 .0044 .0001 .0006 .0006 |
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Si4 .5 .1297 .2364 .80 .0014 .0010 .0020 0 0 -.0009 |
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Be4 .5 .1297 .2364 .20 .0014 .0010 .0020 0 0 -.0009 |
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Be5 .5 .1388 .7289 .80 .0015 .0030 .0064 0 0 .0041 |
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Si5 .5 .1388 .7289 .20 .0015 .0030 .0064 0 0 .0041 |
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Si6 0 .1493 .2350 .0010 .0020 .0042 0 0 .0004 |
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Si7 0 .1513 .7466 .0020 .0024 .0048 0 0 .0004 |
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O1 .2490 .2473 .3393 .0027 .0016 .0030 -.0003 -.0009 -.0008 |
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O2 .2668 .0627 .3473 .0019 .0021 .0043 .0007 .0000 -.0002 |
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O3 .2703 .0649 .8477 .0017 .0012 .0046 .0006 .0003 .0001 |
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O4 .4061 .0737 .1713 .0014 .0023 .0040 -.0001 -.0005 .0003 |
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O5 .4065 .0742 .6567 .0014 .0016 .0051 -.0001 .0004 .0003 |
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O6 .0940 .1379 .3375 .0009 .0040 .0030 .0001 -.0005 .0001 |
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O7 .0963 .1395 .8393 .0009 .0038 .0048 .0003 -.0002 .0015 |
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O8 .2023 .1449 .1172 .0019 .0019 .0021 -.0001 .0002 .0002 |
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F9 .2066 .1547 .6208 .0020 .0021 .0028 -.0002 .0000 -.0001 |
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O10 .5 .2397 .1699 .0017 .0018 .0047 0 0 -.0011 |
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O11 .5 .2450 .6648 .0027 .0020 .0034 0 0 -.0001 |
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O12 .5 .1328 .3934 .0024 .0031 .0018 0 0 .0003 |
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OH13 .5 .1361 .8857 .0025 .0030 .0039 0 0 -.0003 |
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O14 0 .0619 .1234 .0014 .0024 .0044 0 0 -.0009 |
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OH15 0 .0756 .6209 .0026 .0021 .0085 0 0 -.0018 |
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Narssarssuk, Greenland, type sample, determined by the Vienna group |
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refinement based on F2 |
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_database_code_amcsd 0001963 |
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5.0905 5.0905 23.102 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .013 |
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Ce 1/3 2/3 .35352 .009 |
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Na 1/3 2/3 3/4 .007 |
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Ca 1/3 2/3 3/4 .007 |
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F 1/3 2/3 .25 .031 |
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C1 0 0 .6775 .009 |
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C2 2/3 1/3 .4333 .008 |
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O1 .1448 .2896 .6764 .013 |
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O2 .5205 .0410 .4348 .017 |
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Narssarssuk, Greenland, determined by the Vienna group, |
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refinement based on F2 |
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_database_code_amcsd 0001964 |
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5.1011 5.1011 23.096 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .016 |
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Ce 1/3 2/3 .35385 .012 |
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Na 1/3 2/3 3/4 .016 |
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F 1/3 2/3 .25 .038 |
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C1 0 0 .6780 .012 |
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C2 2/3 1/3 .4333 .014 |
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O1 .1448 .2896 .6763 .018 |
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O2 .5218 .0436 .4347 .022 |
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| Download AMC data (View Text File)
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Narssarssuk, Greenland, determined by the Miami group, |
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refinement based on F |
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_database_code_amcsd 0001965 |
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5.09155 5.09155 23.070 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .024 |
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Ce 1/3 2/3 .35351 .0093 |
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Na 1/3 2/3 3/4 .020 |
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F 1/3 2/3 .25 .027 |
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C1 0 0 .6802 .012 |
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C2 2/3 1/3 .4326 .011 |
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O1 .1448 .2896 .6761 .014 |
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O2 .5210 .0420 .4350 .019 |
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| Download AMC data (View Text File)
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Mont St. Hilaire, determined by the Vienna group, |
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refinement based on F2 |
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_database_code_amcsd 0001966 |
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5.097 5.097 23.075 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .013 |
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Ce 1/3 2/3 .35339 .010 |
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Na 1/3 2/3 3/4 .011 |
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F 1/3 2/3 .25 .034 |
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C1 0 0 .6783 .007 |
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C2 2/3 1/3 .4337 .017 |
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O1 .1452 .2904 .6758 .012 |
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O2 .5197 .0394 .4346 .016 |
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Mont St. Hilaire, determined by the Miami group, |
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refinement based on F |
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_database_code_amcsd 0001967 |
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5.09335 5.09335 23.049 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .0114 |
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Ce 1/3 2/3 .35331 .0082 |
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Na 1/3 2/3 3/4 .016 |
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F 1/3 2/3 .25 .024 |
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C1 0 0 .6779 .012 |
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C2 2/3 1/3 .4340 .009 |
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O1 .1445 .2890 .6760 .016 |
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O2 .5217 .0434 .4352 .012 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Kola Pen., refinement based on F2 |
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_database_code_amcsd 0001968 |
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5.108 5.108 23.129 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .019 |
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Ce 1/3 2/3 .35452 .014 |
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Na 1/3 2/3 3/4 .022 |
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F 1/3 2/3 .25 .047 |
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C1 0 0 .6790 .016 |
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C2 2/3 1/3 .4335 .020 |
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O1 .1442 .2884 .6770 .020 |
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O2 .5214 .0428 .4351 .024 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cordylite-(Ce) |
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Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
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American Mineralogist 83 (1998) 178-184 |
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Cordylite-(Ce): A crystal chemical investigation of material from four |
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localities, including type material |
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Sample: from Bayan Obo, refinement based on F2 |
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_database_code_amcsd 0001969 |
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5.109 5.109 23.289 90 90 120 P6_3/mmc |
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atom x y z Uiso |
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Ba 0 0 0 .031 |
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Ce 1/3 2/3 .35451 .021 |
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Na 1/3 2/3 3/4 .029 |
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F 1/3 2/3 .25 .066 |
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C1 0 0 .6778 .025 |
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C2 2/3 1/3 .4342 .030 |
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O1 .1441 .2882 .6762 .032 |
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O2 .5212 .0424 .4350 .043 |
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Vinogradovite |
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Kalsbeek N, Ronsbo J G |
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Zeitschrift fur Kristallographie 200 (1992) 237-245 |
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Refinement of the vinogradovite structure, positioning of Be and excess Na |
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Locality: Ilimaussaq, Southern Greenland |
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Note: T = 110 K |
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_database_code_amcsd 0011018 |
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24.490 8.657 5.203 90 100.15 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .34962 .40362 .21244 .93 .00016 .00118 .00361 .00001 .00003 .00018 |
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Nb .34962 .40362 .21244 .07 .00016 .00118 .00361 .00001 .00003 .00018 |
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Si1 .76688 .40830 .72484 .00016 .00103 .00228 .00002 .00003 .00000 |
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Si2 .43553 .89961 .7248 .75 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Al2 .43553 .89961 .7248 .15 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Be2 .43553 .89961 .7248 .1 .00019 .00123 .00428 -.00002 .00004 -.00005 |
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Na1 .64896 .1890 .7956 .00049 .00270 .00629 .00029 -.00008 .00062 |
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O1 .5 .8430 .75 .00026 .00246 .01181 0 .00026 0 |
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O2 .42101 .9610 .0046 .00033 .00273 .00915 -.00008 .00048 -.00107 |
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O3 .79185 .5119 .9839 .00020 .00163 .00324 .00002 .00002 -.00056 |
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O4 .61523 .5683 .4519 .00019 .00180 .00324 .00008 -.00002 -.00022 |
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O5 .79233 .2392 .7824 .00022 .00136 .00448 .00015 .00004 .00022 |
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O6 .69991 .4180 .6661 .00016 .00146 .00295 -.00002 -.00006 -.00016 |
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O7 .39548 .7510 .6234 .00030 .00196 .00552 -.00014 .00014 .00016 |
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Wat1 0 .1413 .25 .370 1.8 |
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Wat2 .0078 .914 .642 .534 .00142 .04069 .03621 -.00323 .00162 -.01127 |
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Na2 .4644 .4014 .963 .27 2.5 |
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Vinogradovite |
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Kalsbeek N, Ronsbo J G |
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Zeitschrift fur Kristallographie 200 (1992) 237-245 |
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Refinement of the vinogradovite structure, positioning of Be and excess Na |
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Locality: Ilimaussaq, Southern Greenland |
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Note: T = 295 K |
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_database_code_amcsd 0011019 |
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24.50 8.662 5.211 90 100.13 90 C2/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ti .34958 .40339 .21224 .93 .00025 .00172 .00447 .00002 .00015 .00024 |
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Nb .34958 .40339 .21224 .07 .00025 .00172 .00447 .00002 .00015 .00024 |
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Si1 .76689 .40836 .7250 .00024 .00156 .00323 .00004 .00014 .00000 |
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Si2 .43556 .89957 .7228 .75 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Al2 .43556 .89957 .7228 .15 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Be2 .43556 .89957 .7228 .1 .00028 .00193 .00579 -.00006 .00022 -.00016 |
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Na1 .64873 .1887 .7952 .00088 .00453 .00893 .00031 -.00026 .00090 |
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O1 .5 .8441 .75 .00037 .00393 .01748 0 .00046 0 |
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O2 .42093 .9631 .0002 .00057 .00396 .01235 -.00018 .00086 -.00241 |
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O3 .79183 .5111 .9850 .00030 .00283 .00475 .00001 .00022 -.00112 |
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O4 .61535 .5679 .4532 .00030 .00273 .00475 .00016 .00008 -.00039 |
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O5 .79248 .2396 .7808 .00037 .00199 .00646 .00029 .00022 .00033 |
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O6 .70004 .4181 .6660 .00023 .00223 .00475 .00002 -.00006 -.00039 |
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O7 .39563 .7507 .6247 .00043 .00306 .00826 -.00031 .00036 -.00005 |
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Wat1 0 .141 .25 .348 2.5 |
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Wat2 .0076 .910 .646 .549 .00154 .04498 .04560 -.00311 .00181 -.00731 |
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Na2 .4655 .4005 .973 .27 3.5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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