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Cordylite-(Ce) |
 |
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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Cordylite-(Ce) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
localities, including type material |
|
Sample: from Narssarssuk, Greenland, determined by the Vienna group, |
|
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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View JMOL 3-D Structure
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| |
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Cordylite-(Ce) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
localities, including type material |
|
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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View JMOL 3-D Structure
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Cordylite-(Ce) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
Cordylite-(Ce) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
localities, including type material |
|
Sample: from Mont St. Hilaire, determined by the Miami group, |
|
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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View JMOL 3-D Structure
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| |
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Cordylite-(Ce) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
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) |
|
Giester G, Ni Y, Jarosch D, Hughes J M, Ronsbo J G, Yang Z, Zemann J |
|
American Mineralogist 83 (1998) 178-184 |
|
Cordylite-(Ce): A crystal chemical investigation of material from four |
|
localities, including type material |
|
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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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Maoniupingite-(Ce) |
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Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
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European Journal of Mineralogy 14 (2002) 969-975 |
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The crystal structure of natural Fe-rich chevkinite-(Ce) |
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_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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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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Maoniupingite-(Ce) |
| |
Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
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European Journal of Mineralogy 14 (2002) 969-975 |
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The crystal structure of natural Fe-rich chevkinite-(Ce) |
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_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Nanlingite |
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Yang Z, Giester G, Ding K, Tillmanns E |
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European Journal of Mineralogy 23 (2011) 63-71 |
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Crystal structure of nanlingite - the first mineral with a [Fe(AsO3)6] configuration |
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Locality: Nanling area, Hunan Province, China |
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_database_code_amcsd 0018326 |
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10.2114 10.2114 25.689 90 90 120 R-3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As(1) 0 0 .340985 .00569 .00569 .00569 .00569 .00284 0 0 |
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As(2) .218805 .781195 .116669 .00582 .00574 .00574 .00532 .00238 -.00030 .00030 |
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Fe 0 0 .5 .00564 .00599 .00599 .00495 .00300 0 0 |
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Mg(1) .90403 .45201 .10159 .846 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
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Fe(1) .90403 .45201 .10159 .154 .00886 .0096 .00950 .0075 .00481 -.00240 -.00120 |
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Mg(2) .65072 0 0 .982 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
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Fe(2) .65072 0 0 .018 .00770 .0079 .0068 .0081 .00338 .00012 .00025 |
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Ca .88623 .11377 .11426 .727 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Na .88623 .11377 .11426 .050 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Li .8755 .1245 .0928 .223 .01874 .01744 .01744 .0221 .00928 -.00310 .00310 |
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Na 0 0 0 .918 .0152 .0184 .0184 .0087 .0092 0 0 |
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Li 0 0 0 .082 .0152 .0184 .0184 .0087 .0092 0 0 |
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O(1) .42367 .84734 -.02334 .00741 .0080 .0062 .0074 .0031 .00036 .0007 |
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O(2) .67253 .06133 -.07812 .00957 .0096 .0086 .0077 .0025 .0007 .0029 |
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O(3) .86125 .13875 -.15542 .0135 .0164 .0164 .0095 .0095 .0030 -.0030 |
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F(1) 0 0 .08423 .0330 .0382 .0382 .0226 .0191 0 0 |
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F(2) .23719 .76281 -.11937 .0194 .0142 .0142 .0193 -.0007 .0029 -.0029 |
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F(3) .27621 .13811 .02104 .01185 .0155 .0093 .0128 .0077 .0004 .00020 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100046 |
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_database_code_amcsd 0018234 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
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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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B Ca Ga O4 |
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Yang Z, Liang J, Chen X, Xu T, Xu Y |
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Journal of Alloys and Compounds 327 (2001) 215-219 |
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Synthesis and crystal structure of a new compound CaGaBO4 |
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_cod_database_code 1100056 |
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_database_code_amcsd 0018239 |
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15.473 8.2940 5.8392 90 90 90 Ccc2 |
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atom x y z |
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B .405 .728 .357 |
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Ca .4110 .8560 -.102 |
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Ga .2949 .4869 .141 |
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O1 .2365 .4666 .398 |
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O2 .4412 .8743 .318 |
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O3 .3685 .6733 .155 |
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O4 .3753 .6933 .567 |
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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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B Ga O4 Sr |
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Yang Z, Liang J, Chen X, Chen J |
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Journal of Solid State Chemistry 165 (2002) 119-124 |
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Ab intio structure determination of a new compound, |
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beta-SrGaBO4,from powder diffraction data |
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_cod_database_code 1100052 |
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_database_code_amcsd 0018236 |
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15.3706 8.9921 5.9191 90 90 90 P2_12_12 |
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atom x y z |
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Sr1 .1218 -.0716 .5001 |
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Sr2 .5220 .2863 .0076 |
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Ga1 .3498 .0341 .7571 |
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Ga2 .3412 .0428 .2499 |
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O1 .0981 -.0364 -.003 |
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O2 .4015 -.1264 .272 |
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O3 .3671 .1505 .5041 |
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O4 .5941 .1461 .683 |
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O5 .2323 -.0386 .198 |
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O6 .2278 -.0007 .795 |
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O7 .3950 .1300 .0080 |
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O8 .0306 .1794 .478 |
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B1 .1850 -.0317 .0050 |
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B2 .0850 .2950 .5300 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Huanghoite-(Ce) |
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Yang Z M, Pertlik F |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1993 (1993) 163-171 |
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Huanghoite-(Ce), BaCe(CO3)2F, from Khibina, Kola peninsula, Russia: |
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Redetermination of the crystal structure with a discussion on space group symmetry |
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Locality: Khibina, Kola Peninsula, Russia |
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_database_code_amcsd 0014866 |
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5.072 5.072 38.46 90 90 120 R-3m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 0 0 0 .0346 .0346 .0249 .0173 0 0 |
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Ba2 0 0 .5 .0494 .0494 .0203 .0247 0 0 |
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Ce 0 0 .24487 .0283 .0283 .0211 .0142 0 0 |
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C1 0 0 .1082 .043 .043 .016 .022 0 0 |
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C2 0 0 .3734 .045 .045 .021 .023 0 0 |
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O1 .1475 .8525 .1065 .034 .034 .043 .021 .003 -.003 |
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O2 .4782 .5218 .0394 .055 .055 .036 .038 .001 -.001 |
|
F 0 0 .1838 .050 .050 .040 .025 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
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Cebaite-(Ce) |
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Yang Z |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1995 (1995) 56-64 |
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Structure redetermination of natural cebaite-(Ce), Ba3Ce2(CO3)5F2 |
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Locality: Bayan Obo REE-Nb-Fe deposit, Inner Mongolia, China |
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_database_code_amcsd 0014872 |
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21.42 5.078 13.30 90 94.8 90 C2/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 0 .026 .028 .018 0 .0020 0 |
|
Ba2 .1928 0 .6006 .015 .020 .021 0 .0005 0 |
|
Ba3 0 .5 .5 .016 .020 .021 0 -.0005 0 |
|
Ba4 .3130 0 .9047 .019 .020 .019 0 .0010 0 |
|
Ce1 .1051 0 .2874 .014 .014 .018 0 .0005 0 |
|
Ce2 .4002 0 .1854 .012 .016 .017 0 .0005 0 |
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C1 .5416 0 .2011 .025 .016 .006 0 .0010 0 |
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C2 .2456 0 .2755 .012 .030 .018 0 -.0035 0 |
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C3 .0479 0 .6450 .020 .024 .011 0 .0000 0 |
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C4 .1602 0 .9036 .013 .021 .016 0 -.0005 0 |
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C5 .3494 0 .5408 .022 .022 .008 0 -.0015 0 |
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O1 .0122 .2795 .1851 .019 .026 .019 .0000 -.0025 .0000 |
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O2 .1214 .2818 .4415 .026 .013 .033 -.0030 .0010 .0010 |
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O3 .0098 0 .3856 .014 .045 .025 0 -.0035 0 |
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O4 .2160 .2154 .2752 .022 .006 .043 .0015 .0020 -.0025 |
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O5 .3069 0 .2823 .016 .035 .027 0 .0035 0 |
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O6 .4006 0 .7663 .010 .031 .028 0 -.0005 0 |
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O7 .0774 .2225 .6583 .022 .028 .024 -.0015 .0015 -.0030 |
|
O8 .1024 0 .8696 .014 .023 .030 0 -.0080 0 |
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O9 .1897 .2219 .9166 .019 .017 .037 -.0035 .0020 -.0045 |
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O10 .2944 0 .4972 .024 .012 .032 0 -.0010 0 |
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F1 .1251 0 .1127 .028 .020 .029 0 .0035 0 |
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F2 .4269 0 .0146 .022 .038 .030 0 .0005 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gugiaite |
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Yang Z, Fleck M, Pertlik F, Tillmanns E, Tao K |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 186-192 |
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The crystal structure of natural gugiaite, Ca2BeSi2O7 |
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Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China |
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Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths |
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_database_code_amcsd 0014911 |
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7.4330 7.4330 4.9970 90 90 90 P-42_1m |
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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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Ca .16376 .66376 -.48894 .0177 .0186 .0186 .0161 -.0039 -.0007 -.0007 |
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Be 0 0 0 .0038 .0047 .0047 .0020 0 0 0 |
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Si .35325 .85325 -.0396 .0138 .0134 .0134 .0145 -.0004 -.0003 -.0003 |
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O1 .5 0 .8359 .0172 .0172 .0172 .0170 -.0018 0 0 |
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O2 .3594 .8594 .2786 .0162 .0164 .0164 .0158 -.0006 -.0001 -.0001 |
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O3 .3332 .4144 .1816 .0174 .0135 .0222 .0164 -.0026 -.0004 .0026 |
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