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Zunyite |
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Louisnathan S J, Gibbs G V |
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American Mineralogist 57 (1972) 1089-1108 |
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Aluminium-silicon distribution in zunyite |
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_database_code_amcsd 0000290 |
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13.860 13.860 13.860 90 90 90 F-43m |
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atom x y z occ Biso |
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Si1 .25 .25 .25 .14 |
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Al1 .75 .75 .75 .26 |
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Si2 .1143 .1143 .1143 .13 |
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Al2 .0854 .0854 .7669 .31 |
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O1 .8250 .8250 .8250 .46 |
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O2 .1822 .1822 .1822 .80 |
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O3 .2800 0 0 .79 |
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H .32 0 0 4.6 |
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OH4 .1783 .1783 .5454 .68 .25 |
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F4 .1783 .1783 .5454 .32 .25 |
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O5 .1377 .1377 .0013 .41 |
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Cl .5 .5 .5 .63 |
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Paracelsian |
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Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J |
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American Mineralogist 70 (1985) 969-974 |
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Two independent refinements of the structure of paracelsian, BaAl2Si2O8 |
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Locality: Benallt Mine, Carnarvonshire, U.K. |
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Sample: CG refinement |
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_database_code_amcsd 0000997 |
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9.072 9.588 8.577 90 90.21 90 P2_1/a |
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atom x y z Uiso |
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Ba .89778 .41169 .25051 .008 |
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Al1 .06389 .19453 .57128 .005 |
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Si1 .06737 .19879 .93951 .005 |
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Al2 .22539 .92092 .93134 .005 |
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Si2 .23099 .91692 .56341 .006 |
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O1o .1953 .0886 .9985 .010 |
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O1m .1935 .0737 .5044 .010 |
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O2o .1285 .3604 .9569 .008 |
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O2m .1313 .3632 .5450 .008 |
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O3o .9273 .1850 .0575 .010 |
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O3m .9117 .1852 .4494 .010 |
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O4 .0192 .1666 .7632 .013 |
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O5 .2936 .9107 .7422 .011 |
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Paracelsian |
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Chiari G, Gazzoni G, Craig J R, Gibbs G V, Louisnathan S J |
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American Mineralogist 70 (1985) 969-974 |
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Two independent refinements of the structure of paracelsian, BaAl2Si2O8 |
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Locality: Benallt Mine, Carnarvonshire, U.K. |
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Sample: CLG refinement |
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_database_code_amcsd 0000998 |
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9.065 9.568 8.578 90 90.01 90 P2_1/a |
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atom x y z Uiso |
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Ba .89785 .41174 .25107 .008 |
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Al1 .0642 .1939 .5726 .005 |
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Si1 .0688 .1994 .9411 .004 |
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Al2 .2242 .9214 .9302 .005 |
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Si2 .2307 .9167 .5625 .005 |
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O1o .1948 .0898 .9991 .008 |
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O1m .1925 .0725 .5038 .011 |
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O2o .1272 .3605 .9556 .010 |
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O2m .1315 .3642 .5445 .008 |
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O3o .9298 .1848 .0595 .008 |
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O3m .9091 .1844 .4495 .005 |
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O4 .0188 .1657 .7642 .012 |
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O5 .2916 .9108 .7390 .009 |
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Gehlenite |
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Louisnathan S J |
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The Canadian Mineralogist 10 (1971) 822-837 |
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Refinement of the crystal structure of a natural gehlenite, Ca2Al(Al,Si)2O7 |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0005090 |
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7.716 7.716 5.089 90 90 90 P-42_1m |
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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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Ca .3375 .1625 .5110 .0057 .0057 .0243 .0015 -.0013 .0013 |
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AlT1 0 0 0 .93 .0028 .0028 .0168 0 0 0 |
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MgT1 0 0 0 .05 .0028 .0028 .0168 0 0 0 |
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FeT1 0 0 0 .02 .0028 .0028 .0168 0 0 0 |
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AlT .1431 .3569 .9528 .49 .0027 .0027 .0137 .0006 -.0008 .0008 |
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SiT .1431 .3569 .9528 .51 .0027 .0027 .0137 .0006 -.0008 .0008 |
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O1 .5 0 .1884 .0099 .0099 .0132 .0023 0 0 |
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O2 .1418 .3582 .2832 .0061 .0061 .0211 -.0009 -.0005 .0005 |
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O3 .0872 .1706 .8033 .0075 .0056 .0215 .0021 -.0007 -.0024 |
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Hardystonite |
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Louisnathan S J |
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Zeitschrift fur Kristallographie 130 (1969) 427-437 |
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Refinement of the crystal structure of hardystonite, Ca2ZnSi2O7 |
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Locality: Franklin, New Jersey, USA |
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_database_code_amcsd 0010703 |
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7.8279 7.8279 5.0138 90 90 90 P-42_1m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3322 .1678 .5061 .0055 .0055 .0076 .0025 .0005 .0005 |
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Zn 0 0 0 .0025 .0025 .0073 0 0 0 |
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Si .1393 .3607 .9394 .0020 .0020 .0042 -.0001 .0003 .0003 |
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O1 .5 0 .1771 .0098 .0098 .0044 -.0050 0 0 |
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O2 .1400 .3600 .2551 .0055 .0055 .0069 .0028 -.0004 -.0004 |
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O3 .0818 .1885 .7847 .0145 .0017 .0124 -.0016 .0033 -.0014 |
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Fresnoite |
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Moore P B, Louisnathan S J |
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Zeitschrift fur Kristallographie 130 (1969) 438-448 |
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The crystal structure of fresnoite, Ba2(TiO)Si2O7 |
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Positive polarity |
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Locality: sanbornite deposits of eastern Fresno County, California, USA |
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_database_code_amcsd 0010704 |
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8.518 8.518 5.211 90 90 90 P4bm |
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atom x y z Biso |
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Ba .3272 .8272 0 .89 |
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Ti 0 0 .5414 .17 |
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Si .1282 .6282 .5207 .37 |
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O1 0 .5 .6183 1.80 |
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O2 .1236 .6236 .2125 .51 |
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O3 .2896 .5762 .6584 1.29 |
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O4 0 0 .2278 .94 |
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Fresnoite |
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Moore P B, Louisnathan S J |
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Zeitschrift fur Kristallographie 130 (1969) 438-448 |
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The crystal structure of fresnoite, Ba2(TiO)Si2O7 |
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Negative polarity |
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Locality: sanbornite deposits of eastern Fresno County, California, USA |
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_database_code_amcsd 0010705 |
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8.518 8.518 5.211 90 90 90 P4bm |
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atom x y z Biso |
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Ba .3272 .8272 0 .89 |
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Ti 0 0 .5385 .17 |
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Si .1281 .6281 .5136 .39 |
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O1 0 .5 .6091 1.66 |
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O2 .1241 .6241 .2019 .47 |
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O3 .2897 .5758 .6496 1.23 |
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O4 0 0 .2178 .96 |
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Melilite |
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Louisnathan S J |
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Zeitschrift fur Kristallographie 131 (1970) 314-321 |
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The crystal structure of synthetic soda melilite, CaNaAlSi2O7 |
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Locality: synthetic |
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_database_code_amcsd 0010711 |
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7.6344 7.6344 5.0513 90 90 90 P-42_1m |
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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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Ca .3399 .1601 .5134 .5 .0050 .0050 .0071 .0015 .0009 -.0009 |
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Na .3399 .1601 .5134 .5 .0050 .0050 .0071 .0015 .0009 -.0009 |
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Al 0 0 0 .0018 .0018 .0047 0 0 0 |
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Si .1416 .3584 .9531 .0009 .0009 .0010 -.0003 -.0002 .0002 |
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O1 .5 0 .1687 .0034 .0034 .0034 -.0023 0 0 |
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O2 .1428 .3572 .2652 .0074 .0074 .0075 .0007 -.0012 .0012 |
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O3 .0852 .1747 .8120 .0045 .0035 .0059 -.0013 .0013 .0010 |
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|
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