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Hyttsjoite |
| |
Grew E S, Peacor D R, Rouse R C, Yates M G, Su S-C, Marquez N |
 |
American Mineralogist 81 (1996) 743-753 |
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Hyttsjoite, a new, complex layered plumbosilicate with unique tetrahedral sheets |
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from Langban, Sweden |
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Note: U(1,2) for Ca3 and Fe changed to match symmetry constraints. |
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_database_code_amcsd 0001799 |
|
9.865 9.865 79.45 90 90 120 R-3 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .6784 .1188 .64931 .0121 .0167 .0153 .0051 .0009 .0006 |
|
Pb2 .0703 .3986 .18584 .0158 .0087 .0150 .0062 -.0001 -.0011 |
|
Pb3 .4469 .0800 .73591 .0188 .0178 .0130 .0118 .0003 .0010 |
|
Ba 0 0 .08632 .012 .012 .016 .006 0 0 |
|
Ca1 0 0 0 .008 .008 .027 .004 0 0 |
|
Ca2 0 0 .7872 .022 .022 .031 .011 0 0 |
|
Ca3 0 0 .8309 .009 .009 .012 .0045 0 0 |
|
Fe 0 0 .1306 .009 .009 .017 .0045 0 0 |
|
Mn 0 0 .0400 .012 .012 .020 .006 0 0 |
|
Si1 0 0 .4365 .002 .002 .010 .001 0 0 |
|
Si2 .2556 .3463 .7260 .004 .015 .007 .005 .001 -.001 |
|
Si3 .3538 .0862 .1443 .006 .009 .020 .005 -.001 .001 |
|
Si4 0 0 .6482 .002 .002 .014 .001 0 0 |
|
Si5 .5824 .5923 .3082 .011 .015 .008 .011 0 -.003 |
|
Si6 .5784 .0034 .2224 .011 .018 .006 .011 -.002 -.003 |
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Si7 0 0 .2773 .005 |
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Cl 0 0 .5 .029 |
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O1 .520 .871 .4364 .028 |
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O2 .194 .468 .7228 .005 |
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O3 .898 .071 .4441 .013 |
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O4 .247 .319 .1748 .010 |
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O5 .593 .452 .2174 .004 |
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O6 .324 .982 .2902 .010 |
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O7 .051 .331 .3222 .015 |
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O8 .899 .825 .2700 .015 |
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O9 .176 .068 .3595 .005 |
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O10 .718 .204 .1860 .005 |
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O11 .371 .018 .1258 .029 |
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O12 0 0 .4168 .004 |
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O13 .192 .059 .1898 .010 |
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O14 .856 .425 .3118 .016 |
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O15 .626 .600 .2588 .015 |
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O16 .663 .033 .2395 .035 |
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O17 0 0 .3306 .02 |
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O18 0 0 .2968 .01 |
|
|
| 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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Surinamite |
 |
Barbier J, Grew E S, Halenius E, Halenius U, Yates M G |
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American Mineralogist 87 (2002) 501-513 |
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The role of iron and cation order in the crystal chemistry of surinamite, |
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(Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic, |
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and optical spectroscopic study |
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_database_code_amcsd 0002765 |
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9.915 11.368 9.617 90 109.30 90 P2/n |
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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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Mg1 .47690 .65771 .25890 .57 .00647 .00902 .00517 -.00087 .00189 .00020 |
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Fe1 .47690 .65771 .25890 .43 .00647 .00902 .00517 -.00087 .00189 .00020 |
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Fe2 .50136 .37756 .26862 .23 .00525 .00683 .00629 -.00034 .00209 -.00018 |
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Al2 .50136 .37756 .26862 .77 .00525 .00683 .00629 -.00034 .00209 -.00018 |
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Fe3 .50233 .11433 .25462 .12 .0055 .0071 .00549 .00005 .00173 .00019 |
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Al3 .50233 .11433 .25462 .88 .0055 .0071 .00549 .00005 .00173 .00019 |
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Mg4 .25 .25304 .25 .91 .0054 .0078 .0065 0 .0027 0 |
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Fe4 .25 .25304 .25 .09 .0054 .0078 .0065 0 .0027 0 |
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Mg5 .25 .96605 .25 .89 .0050 .0086 .0057 0 .0016 0 |
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Fe5 .25 .96605 .25 .11 .0050 .0086 .0057 0 .0016 0 |
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Fe6 .75 .51185 .25 .03 .0051 .0072 .0051 0 .0006 0 |
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Al6 .75 .51185 .25 .97 .0051 .0072 .0051 0 .0006 0 |
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Mg7 .75 .25557 .25 .72 .0053 .0067 .0081 0 .0031 0 |
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Fe7 .75 .25557 .25 .28 .0053 .0067 .0081 0 .0031 0 |
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Mg8 .75 .97415 .25 .88 .0050 .0079 .0059 0 .0016 0 |
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Fe8 .75 .97415 .25 .12 .0050 .0079 .0059 0 .0016 0 |
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Fe9 0 .5 .5 .06 .0057 .0074 .0042 .0001 .0007 -.0004 |
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Al9 0 .5 .5 .94 .0057 .0074 .0042 .0001 .0007 -.0004 |
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Be1 .3237 .75235 .45699 .97 .0034 .0064 .0044 .0002 .0005 .0007 |
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Si1 .3237 .75235 .45699 .03 .0034 .0064 .0044 .0002 .0005 .0007 |
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Si2 .07701 .88375 .44837 .00431 .00617 .00316 -.00002 .00093 .00009 |
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Al3 .30667 .50194 .43710 .03 .00460 .00664 .00332 -.00015 .00092 -.00018 |
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Si3 .30667 .50194 .43710 .97 .00460 .00664 .00332 -.00015 .00092 -.00018 |
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Si4 .56921 .87998 .44768 .00435 .00618 .00304 .00024 .00087 .00007 |
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Be5 .83025 .74469 .45266 .03 .0045 .0053 .00331 .00020 .00105 -.00005 |
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Al5 .83025 .74469 .45266 .97 .0045 .0053 .00331 .00020 .00105 -.00005 |
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O1 .11660 .99888 .37094 .0058 .0078 .0058 -.0001 .0023 .0008 |
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O2 .61422 .99433 .37211 .0061 .0071 .0060 .0000 .0024 -.0012 |
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O3 .87653 .11306 .37006 .0056 .0082 .0038 -.0002 .0010 -.0004 |
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O4 .37590 .11535 .37102 .0057 .0083 .0039 .0002 .0012 .0000 |
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O5 .90338 .86363 .38764 .0055 .0074 .0059 .0001 .0013 .0013 |
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O6 .39921 .85516 .38787 .0047 .0089 .0058 .0006 .0006 -.0011 |
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O7 .61033 .24682 .36261 .0056 .0096 .0045 .0007 .0013 .0000 |
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O8 .64468 .76550 .39776 .0059 .0081 .0071 .0003 .0029 .0000 |
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O9 .10797 .25107 .35475 .0062 |
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O10 .14979 .76909 .40325 .0070 |
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O11 .35862 .62618 .39168 .0070 |
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O12 .37004 .39300 .36835 .0067 .0085 .0062 -.0002 .0011 .0008 |
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O13 .88128 .61979 .37268 .0058 .0067 .0055 .0003 .0010 -.0005 |
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O14 .88404 .40002 .35400 .0060 .0069 .0049 .0002 .0013 .0003 |
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O15 .63220 .50604 .37974 .0069 .0106 .0040 .0003 .0018 .0002 |
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O16 .12766 .49863 .38238 .0056 .0092 .0056 -.0006 .0020 -.0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Makarochkinite |
| |
Grew E S, Barbier J, Britten J, Yates M G, Polyakov V O, Shcherbakova E P, |
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Halenius U, Shearer C K |
|
American Mineralogist 90 (2005) 1402-1412 |
|
Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the |
|
aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern |
|
Urals), Russia |
|
Sample: 400shch6 |
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_database_code_amcsd 0003889 |
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10.355 10.751 8.873 105.757 96.227 124.861 P-1 |
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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) |
|
Fe1 0 0 .5 .90 .00963 .0082 .0093 .0112 .0059 .0017 .0039 |
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Mg1 0 0 .5 .10 .00963 .0082 .0093 .0112 .0059 .0017 .0039 |
|
Fe2 0 .5 0 .98 .00993 .0068 .0113 .0094 .0053 .0026 .0029 |
|
Mg2 0 .5 0 .02 .00993 .0068 .0113 .0094 .0053 .0026 .0029 |
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Fe3 .32185 .85956 .17419 .97 .00987 .0074 .0120 .0099 .0062 .00283 .00416 |
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Mg3 .32185 .85956 .17419 .03 .00987 .0074 .0120 .0099 .0062 .00283 .00416 |
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Fe4 .76906 .82165 .14405 .94 .01011 .0080 .0106 .0122 .0060 .00316 .00498 |
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Mg4 .76906 .82165 .14405 .06 .01011 .0080 .0106 .0122 .0060 .00316 .00498 |
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Fe5 .09463 .94086 .06167 .91 .01050 .0082 .0125 .0105 .0068 .00323 .00386 |
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Mg5 .09463 .94086 .06167 .09 .01050 .0082 .0125 .0105 .0068 .00323 .00386 |
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Fe6 .59478 .94047 .06207 .99 .01006 .0084 .0110 .0113 .0060 .00309 .00573 |
|
Mg6 .59478 .94047 .06207 .01 .01006 .0084 .0110 .0113 .0060 .00309 .00573 |
|
Ti7 .99574 .73849 .26030 .59 .01012 .0079 .0106 .0106 .0060 .00235 .00291 |
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Fe7 .99574 .73849 .26030 .37 .01012 .0079 .0106 .0106 .0060 .00235 .00291 |
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Nb7 .99574 .73849 .26030 .04 .01012 .0079 .0106 .0106 .0060 .00235 .00291 |
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Ta7 .99574 .73849 .26030 .01 .01012 .0079 .0106 .0106 .0060 .00235 .00291 |
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Ca8 .21711 .63177 .39355 .79 .01407 .0133 .0134 .0120 .0078 .0034 .0056 |
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Na8 .21711 .63177 .39355 .16 .01407 .0133 .0134 .0120 .0078 .0034 .0056 |
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Mn8 .21711 .63177 .39355 .05 .01407 .0133 .0134 .0120 .0078 .0034 .0056 |
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Ca9 .65223 .60171 .37792 .90 .01519 .0133 .0126 .0138 .0024 .0068 .0033 |
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Na9 .65223 .60171 .37792 .05 .01519 .0133 .0126 .0138 .0024 .0068 .0033 |
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Mn9 .65223 .60171 .37792 .05 .01519 .0133 .0126 .0138 .0024 .0068 .0033 |
|
Si1 .46973 .23651 .33263 .56 .0079 .0068 .0079 .0089 .0046 .0034 .0032 |
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Be1 .46973 .23651 .33263 .44 .0079 .0068 .0079 .0089 .0046 .0034 .0032 |
|
Si2 .98320 .23624 .34353 .00745 .0065 .0085 .0077 .0050 .0024 .0033 |
|
Si3 .78616 .34290 .24127 .39 .00713 .0059 .0074 .0080 .0044 .0022 .0027 |
|
Al3 .78616 .34290 .24127 .54 .00713 .0059 .0074 .0080 .0044 .0022 .0027 |
|
Fe3 .78616 .34290 .24127 .07 .00713 .0059 .0074 .0080 .0044 .0022 .0027 |
|
Si4 .27293 .33670 .22690 .54 .0084 .0071 .0086 .0084 .0045 .0029 .0034 |
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Be4 .27293 .33670 .22690 .46 .0084 .0071 .0086 .0084 .0045 .0029 .0034 |
|
Si5 .64411 .94272 .44502 .00663 .0052 .0070 .0067 .0038 .0015 .0022 |
|
Si6 .35661 .55818 .05087 .00691 .0055 .0079 .0078 .0046 .0029 .0030 |
|
O1 .3489 .0651 .1645 .0111 .0111 .0093 .0094 .0053 .0033 .0026 |
|
O2 .8572 .0657 .1731 .0113 .0114 .0115 .0113 .0085 .0027 .0027 |
|
O3 .5551 .9552 .2946 .0114 .0118 .0138 .0105 .0089 .0040 .0053 |
|
O4 .0177 .9343 .2666 .0157 .0150 .0151 .0126 .0110 -.0019 -.0008 |
|
O5 .2420 .8752 .3942 .0101 .0108 .0081 .0097 .0061 .0014 .0020 |
|
O6 .7500 .8782 .3901 .0111 .0095 .0113 .0118 .0069 .0038 .0025 |
|
O7 .4943 .1961 .4954 .0092 .0069 .0101 .0114 .0053 .0035 .0061 |
|
O8 .9549 .7803 .4885 .0114 .0092 .0123 .0111 .0057 .0039 .0052 |
|
O9 .8909 .3199 .3794 .0113 .0138 .0144 .0101 .0107 .0050 .0058 |
|
O10 .3965 .3384 .3605 .0088 .0092 .0107 .0091 .0080 .0031 .0035 |
|
O11 .6583 .1697 .0667 .0116 .0112 .0132 .0150 .0089 .0064 .0081 |
|
O12 .1485 .1643 .0622 .0131 .0125 .0121 .0089 .0065 .0024 .0005 |
|
O13 .5274 .7101 .0391 .0113 .0087 .0099 .0128 .0045 .0039 .0049 |
|
O14 .0673 .7349 .0647 .0147 .0096 .0139 .0164 .0068 .0034 .0023 |
|
O15 .2459 .6133 .1161 .0102 .0074 .0110 .0101 .0056 .0026 .0026 |
|
O16 .7473 .6020 .1320 .0105 .0085 .0106 .0082 .0050 .0012 .0019 |
|
O17 .3986 .4975 .1867 .0095 .0074 .0109 .0108 .0049 .0039 .0066 |
|
O18 .9424 .5142 .2259 .0127 .0149 .0137 .0119 .0107 .0040 .0045 |
|
O19 .1601 .3710 .3186 .0114 .0100 .0091 .0144 .0053 .0068 .0045 |
|
O20 .6663 .3688 .3374 .0103 .0079 .0103 .0120 .0053 .0052 .0045 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Makarochkinite |
| |
Grew E S, Barbier J, Britten J, Yates M G, Polyakov V O, Shcherbakova E P, |
|
Halenius U, Shearer C K |
|
American Mineralogist 90 (2005) 1402-1412 |
|
Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the |
|
aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern |
|
Urals), Russia |
|
Sample: 3319 |
|
_database_code_amcsd 0003890 |
|
10.373 10.768 8.878 105.794 96.183 124.934 P-1 |
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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) |
|
Fe1 0 0 .5 .89 .00964 .0081 .0076 .0115 .0041 .0021 .0044 |
|
Mg1 0 0 .5 .11 .00964 .0081 .0076 .0115 .0041 .0021 .0044 |
|
Fe2 0 .5 0 .96 .00992 .0068 .0096 .0104 .0036 .00305 .0044 |
|
Mg2 0 .5 0 .04 .00992 .0068 .0096 .0104 .0036 .00305 .0044 |
|
Fe3 .32172 .85979 .17426 .96 .01006 .00794 .01033 .01047 .00471 .00325 .00494 |
|
Fe3 .32172 .85979 .17426 .04 .01006 .00794 .01033 .01047 .00471 .00325 .00494 |
|
Fe4 .76926 .82159 .14378 .92 .01004 .00797 .00939 .01267 .00487 .00349 .00583 |
|
Mg4 .76926 .82159 .14378 .08 .01004 .00797 .00939 .01267 .00487 .00349 .00583 |
|
Fe5 .09434 .94053 .06216 .95 .01021 .00810 .01058 .01051 .00509 .00302 .00452 |
|
Mg5 .09434 .94053 .06216 .05 .01021 .00810 .01058 .01051 .00509 .00302 .00452 |
|
Fe6 .59459 .94022 .06189 .98 .01007 .00847 .00907 .01225 .00450 .00333 .00642 |
|
Mg6 .59459 .94022 .06189 .02 .01007 .00847 .00907 .01225 .00450 .00333 .00642 |
|
Ti7 .99563 .73815 .26092 .54 .00995 .00793 .00875 .01090 .00444 .00247 .00344 |
|
Fe7 .99563 .73815 .26092 .32 .00995 .00793 .00875 .01090 .00444 .00247 .00344 |
|
Nb7 .99563 .73815 .26092 .07 .00995 .00793 .00875 .01090 .00444 .00247 .00344 |
|
Al7 .99563 .73815 .26092 .05 .00995 .00793 .00875 .01090 .00444 .00247 .00344 |
|
Sn7 .99563 .73815 .26092 .02 .00995 .00793 .00875 .01090 .00444 .00247 .00344 |
|
Ca8 .21745 .63164 .39374 .89 .01473 .0145 .0129 .0142 .0069 .0037 .0070 |
|
Na8 .21745 .63164 .39374 .11 .01473 .0145 .0129 .0142 .0069 .0037 .0070 |
|
Ca9 .65186 .60110 .37816 .88 .01587 .0117 .0092 .0125 -.0005 .0065 .0031 |
|
Na9 .65186 .60110 .37816 .08 .01587 .0117 .0092 .0125 -.0005 .0065 .0031 |
|
Mn9 .65186 .60110 .37816 .04 .01587 .0117 .0092 .0125 -.0005 .0065 .0031 |
|
Si1 .46915 .23656 .33224 .52 .0077 .0078 .0064 .0084 .0039 .0031 .0037 |
|
Be1 .46915 .23656 .33224 .48 .0077 .0078 .0064 .0084 .0039 .0031 .0037 |
|
Si2 .98342 .23624 .34327 .00798 .0072 .0072 .0088 .0040 .0024 .0039 |
|
Si3 .78594 .34268 .24096 .52 .00763 .0063 .0069 .0088 .0034 .0022 .0042 |
|
Al3 .78594 .34268 .24096 .43 .00763 .0063 .0069 .0088 .0034 .0022 .0042 |
|
Fe3 .78594 .34268 .24096 .05 .00763 .0063 .0069 .0088 .0034 .0022 .0042 |
|
Si4 .27314 .33656 .22716 .48 .0072 .0060 .0055 .0082 .0024 .0022 .0033 |
|
Be4 .27314 .33656 .22716 .52 .0072 .0060 .0055 .0082 .0024 .0022 .0033 |
|
Si5 .64385 .94276 .44551 .00712 .0060 .0059 .0078 .0028 .0015 .0032 |
|
Si6 .35649 .55775 .05069 .00738 .0054 .0062 .0089 .0025 .0025 .0039 |
|
O1 .3496 .0660 .1648 .0115 .0123 .0080 .0107 .0051 .0032 .0027 |
|
O2 .8568 .0657 .1730 .0117 .0110 .0116 .0108 .0071 .0021 .0029 |
|
O3 .5541 .9545 .2938 .0114 .0107 .0121 .0121 .0072 .0035 .0058 |
|
O4 .0177 .9346 .2673 .0157 .0158 .0162 .0144 .0120 .0000 .0024 |
|
O5 .2429 .8751 .3934 .0106 .0091 .0075 .0100 .0035 .0011 .0022 |
|
O6 .7501 .8781 .3897 .0110 .0098 .0103 .0118 .0060 .0040 .0037 |
|
O7 .4940 .1965 .4950 .0110 .0101 .0106 .0110 .0046 .0044 .0070 |
|
O8 .9549 .7807 .4889 .0111 .0107 .0116 .0133 .0071 .0052 .0073 |
|
O9 .8901 .3190 .3794 .0115 .0134 .0126 .0112 .0091 .0044 .0060 |
|
O10 .3964 .3381 .3608 .0099 .0091 .0090 .0104 .0055 .0015 .0038 |
|
O11 .6582 .1696 .0663 .0113 .0095 .0098 .0167 .0062 .0061 .0069 |
|
O12 .1488 .1650 .0630 .0116 .0103 .0089 .0104 .0044 .0028 .0016 |
|
O13 .5271 .7102 .0398 .0112 .0084 .0102 .0147 .0049 .0055 .0066 |
|
O14 .0673 .7342 .0643 .0145 .0096 .0118 .0164 .0055 .0042 .0015 |
|
O15 .2461 .6127 .1163 .0101 .0082 .0113 .0106 .0062 .0030 .0038 |
|
O16 .7463 .6020 .1328 .0110 .0073 .0089 .0108 .0027 .0018 .0030 |
|
O17 .3986 .4970 .1866 .0102 .0087 .0086 .0118 .0039 .0033 .0064 |
|
O18 .9424 .5136 .2242 .0139 .0152 .0146 .0139 .0098 .0049 .0074 |
|
O19 .1602 .3715 .3187 .0116 .0094 .0090 .0159 .0043 .0074 .0068 |
|
O20 .6661 .3697 .3371 .0102 .0091 .0081 .0110 .0039 .0032 .0047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hogtuvaite |
|
Grew E S, Barbier J, Britten J, Yates M G, Polyakov V O, Shcherbakova E P, |
|
Halenius U, Shearer C K |
|
American Mineralogist 90 (2005) 1402-1412 |
|
Makarochkinite, Ca2Fe2+4Fe3+TiSi4BeAlO20, a new beryllosilicate member of the |
|
aenigmatite-sapphirine-surinamite group from the Il'men Mountains (southern |
|
Urals), Russia |
|
Sample: N86 |
|
_database_code_amcsd 0003891 |
|
10.322 10.729 8.8624 105.802 96.185 124.758 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 0 0 .5 .96 .0093 .0060 .0050 .0127 .0019 .0020 .0028 |
|
Mg1 0 0 .5 .04 .0093 .0060 .0050 .0127 .0019 .0020 .0028 |
|
Fe2 0 .5 0 .98 .0091 .0054 .0079 .0097 .0022 .0037 .0025 |
|
Mg2 0 .5 0 .02 .0091 .0054 .0079 .0097 .0022 .0037 .0025 |
|
Fe3 .32158 .86003 .17413 .0092 .0066 .0090 .0103 .0039 .0031 .0042 |
|
Fe4 .77030 .82192 .14404 .97 .0093 .0073 .0071 .0124 .0036 .0031 .0046 |
|
Mg4 .77030 .82192 .14404 .03 .0093 .0073 .0071 .0124 .0036 .0031 .0046 |
|
Fe5 .09624 .94393 .06329 .94 .00963 .0056 .0103 .0123 .0032 .0050 .0074 |
|
Mg5 .09624 .94393 .06329 .06 .00963 .0056 .0103 .0123 .0032 .0050 .0074 |
|
Fe6 .59480 .94021 .06198 .00915 .0062 .0062 .0122 .0019 .0034 .0050 |
|
Ti7 .99496 .73673 .26250 .24 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
|
Fe7 .99496 .73673 .26250 .70 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
|
Al7 .99496 .73673 .26250 .03 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
|
Sn7 .99496 .73673 .26250 .03 .00937 .0074 .0078 .0107 .0038 .0031 .0032 |
|
Ca8 .21814 .63211 .39465 .73 .0125 .0123 .0097 .0124 .0050 .0036 .0052 |
|
Na8 .21814 .63211 .39465 .27 .0125 .0123 .0097 .0124 .0050 .0036 .0052 |
|
Ca9 .65129 .60064 .37812 .98 .0152 .0108 .0085 .0117 -.0013 .0060 .0028 |
|
Na9 .65129 .60064 .37812 .02 .0152 .0108 .0085 .0117 -.0013 .0060 .0028 |
|
Si1 .4691 .2375 .3324 .50 .0065 .0060 .0051 .0074 .0026 .0026 .0034 |
|
Be1 .4691 .2375 .3324 .50 .0065 .0060 .0051 .0074 .0026 .0026 .0034 |
|
Si2 .9826 .2356 .3424 .90 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
|
Be2 .9826 .2356 .3424 .05 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
|
Al2 .9826 .2356 .3424 .05 .0054 .0046 .0050 .0069 .0025 .0029 .0036 |
|
Si3 .7860 .3426 .2417 .67 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
|
Al3 .7860 .3426 .2417 .30 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
|
Fe3 .7860 .3426 .2417 .03 .0056 .0032 .0031 .0082 .0010 .0019 .0021 |
|
Si4 .2728 .3363 .2265 .49 .0064 .0061 .0055 .0085 .0033 .0047 .0039 |
|
Be4 .2728 .3363 .2265 .51 .0064 .0061 .0055 .0085 .0033 .0047 .0039 |
|
Si5 .64348 .94276 .44604 .0058 .0052 .0048 .0060 .0024 .0018 .0025 |
|
Si6 .35714 .55803 .05037 .0059 .0042 .0035 .0085 .0013 .0038 .0029 |
|
O1 .3507 .0659 .1652 .0101 .012 .008 .005 .003 .0019 .0019 |
|
O2 .8556 .0639 .1731 .0105 .010 .008 .007 .005 .0004 .0010 |
|
O3 .5543 .9540 .2947 .0102 .011 .009 .008 .005 .0021 .0044 |
|
O4 .0159 .9350 .2697 .0125 .014 .012 .011 .010 .0025 .0025 |
|
O5 .2428 .8751 .3929 .0081 .009 .005 .006 .003 -.0003 .0019 |
|
O6 .7508 .8792 .3898 .0085 .007 .007 .014 .004 .0049 .0054 |
|
O7 .4940 .1969 .4955 .0082 .006 .008 .0076 .0021 .0036 .0039 |
|
O8 .9539 .7803 .4896 .0091 .012 .008 .011 .006 .0060 .0082 |
|
O9 .8894 .3180 .3798 .0105 .013 .012 .011 .008 .0081 .0077 |
|
O10 .3956 .3377 .3609 .0090 .012 .012 .011 .009 .0078 .0090 |
|
O11 .6567 .1694 .0659 .0116 .009 .010 .017 .005 .009 .0066 |
|
O12 .1489 .1651 .0607 .0105 .010 .010 .011 .006 .0037 .0026 |
|
O13 .5283 .7108 .0407 .0083 .006 .008 .011 .0032 .0050 .0061 |
|
O14 .0673 .7330 .0632 .0125 .007 .012 .012 .004 .0041 .0024 |
|
O15 .2442 .6124 .1137 .0110 .010 .012 .012 .007 .0039 .0067 |
|
O16 .7443 .6010 .1322 .0090 .006 .008 .011 .003 .0043 .0051 |
|
O17 .3984 .4976 .1872 .0090 .005 .012 .012 .0053 .0044 .0090 |
|
O18 .9423 .5129 .2229 .0128 .008 .011 .015 .006 -.0007 .0030 |
|
O19 .1578 .3693 .3167 .0096 .012 .005 .015 .006 .0085 .0049 |
|
O20 .6661 .3698 .3365 .0101 .005 .006 .013 .0014 .0026 .0031 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Stornesite-(Y) |
| |
Grew E S, Armbruster T, Medenbach O, Yates M G, Carson C J |
| |
American Mineralogist 91 (2006) 1412-1424 |
|
Stornesite-(Y), (Y, Ca)Vacancy2Na6(Ca,Na)8(Mg,Fe)43(PO4)36, the first |
|
terrestrial Mg-dominant member of the fillowite group, from granulite-facies |
|
paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica |
|
Locality: Larsemann Hills, Prydz Bay, East Antarctica |
|
Note: Isostructural with chladniite |
|
_database_code_amcsd 0004225 |
|
14.9628 14.9628 42.756 90 90 120 R-3 |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Y2 0 0 0 .677 .65 .0082 .0082 .008 .0041 0 0 |
|
CaY2 0 0 0 .263 .65 .0082 .0082 .008 .0041 0 0 |
|
YbY2 0 0 0 .060 .65 .0082 .0082 .008 .0041 0 0 |
|
NaX 0 0 .176 .063 .8 |
|
Na1 -.4108 -.0941 .16822 2.41 .047 .041 .022 .037 .005 .008 |
|
Ca1 .0263 -.2680 .00022 .581 1.32 .010 .023 .014 .006 -.0006 .0018 |
|
NaCa1 .0263 -.2680 .00022 .419 1.32 .010 .023 .014 .006 -.0006 .0018 |
|
Ca2 2/3 1/3 .08913 .679 1.34 .016 .016 .019 .0079 0 0 |
|
NaCa2 2/3 1/3 .08913 .321 1.34 .016 .016 .019 .0079 0 0 |
|
Mg1 0 0 .1057 .973 1.0 |
|
Fe1 0 0 .1057 .027 1.0 |
|
Mg2 2/3 1/3 .0083 .967 .8 |
|
Fe2 2/3 1/3 .0083 .033 .8 |
|
Mg3 1/3 2/3 .0630 1.31 |
|
Mg4 -.5393 -.1101 .03880 .545 1.13 |
|
Fe4 -.5393 -.1101 .03880 .455 1.13 |
|
Mg5 -.6800 -.0027 .08198 .888 .80 |
|
Fe5 -.6800 -.0027 .08198 .112 .80 |
|
Mg6 -.1089 .1116 .13588 .669 1.29 |
|
Fe6 -.1089 .1116 .13588 .331 1.29 |
|
Mg7 -.2530 .1758 .05190 .720 1.06 |
|
Fe7 -.2530 .1758 .05190 .280 1.06 |
|
Mg8 -.3293 -.0677 .08584 .626 .81 |
|
Fe8 -.3293 -.0677 .08584 .374 .81 |
|
Mg9 -.4236 .0810 .12567 .792 1.48 |
|
Fe9 -.4236 .0810 .12567 .208 1.48 |
|
Fe10 0 0 .5 .510 .5 |
|
Mg10 0 0 .5 .490 .5 |
|
P1 .5329 .1162 .03848 .79 |
|
P2 .4460 .2070 .12282 .92 |
|
P3 .1971 .1165 .05547 .92 |
|
P4 .1230 .2429 .13363 .87 |
|
P5 .1898 .4348 .02793 .69 |
|
P6 .1276 .5694 .11069 .81 |
|
O1 .5574 .0350 .0509 1.4 .024 .013 .019 .012 -.004 -.001 |
|
O2 .6390 .2183 .0393 1.10 .012 .013 .015 .005 .002 .003 |
|
O3 .4558 .1289 .0590 1.13 .012 .015 .015 .006 .005 .002 |
|
O4 .4902 .0933 .0051 1.2 .018 .017 .010 .008 .000 .000 |
|
O5 .5371 .1890 .1241 1.5 .014 .019 .027 .011 -.003 .000 |
|
O6 .3432 .1091 .1146 .91 .008 .013 .010 .002 .000 -.003 |
|
O7 .4306 .2511 .1528 2.3 .039 .042 .023 .032 -.011 -.021 |
|
O8 .4721 .2932 .0980 1.5 .018 .014 .022 .006 -.006 -.001 |
|
O9 .2471 .0502 .0504 1.17 .016 .016 .017 .011 .002 .002 |
|
O10 .1351 .0879 .0856 2.3 .025 .020 .034 .006 .014 -.004 |
|
O11 .1373 .1158 .0265 2.3 .029 .029 .035 .019 -.020 -.012 |
|
O12 .2867 .2323 .0593 1.1 .009 .011 .020 .004 .002 -.002 |
|
O13 .2265 .2435 .1312 1.3 .014 .013 .023 .008 .000 .002 |
|
O14 .0346 .1309 .1347 1.12 .013 .013 .015 .005 .005 -.001 |
|
O15 .1187 .2991 .1038 1.20 .013 .016 .015 .006 .001 .002 |
|
O16 .1252 .3032 .1627 1.2 .016 .015 .013 .007 .001 -.001 |
|
O17 .2566 .3992 .0451 1.11 .014 .018 .013 .011 -.001 .004 |
|
O18 .1619 .3825 -.0043 .99 .011 .013 .011 .005 -.001 -.002 |
|
O19 .0893 .4095 .0448 .94 .011 .014 .012 .007 .002 .002 |
|
O20 .2531 .5539 .0254 1.1 .019 .012 .010 .007 .002 .003 |
|
O21 .0440 .4540 .1101 1.07 .013 .009 .014 .002 .001 -.002 |
|
O22 .1909 .6039 .0801 .91 .014 .015 .008 .010 .001 .000 |
|
O23 .1953 .5938 .1393 1.4 .015 .023 .013 .007 -.001 .003 |
|
O24 .0631 .6257 .1128 1.1 .018 .015 .013 .011 .003 .003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Boralsilite |
| |
Grew E S, Graetsch H A, Poter B, Yates M G, Buick I, Bernhardt H-J, Schreyer W, |
|
Werding G, Carson C J, Clarke G L |
| |
American Mineralogist 93 (2008) 283-299 |
|
Boralsilite, Al16B6Si2O37, and "boron-mullite:" compositional variations and |
|
associated phases in experiment and nature |
|
Locality: synthetic |
|
Sample: run W2 |
|
_database_code_amcsd 0004524 |
|
14.797 5.5800 15.095 90 91.750 90 C2/m |
|
atom x y z occ Uiso |
|
Al1 .868 0 .343 .030 |
|
Al2 .814 0 .160 .024 |
|
Al3 .574 0 .074 .021 |
|
Al4 .676 0 .339 .012 |
|
Al5 .004 .255 .246 .019 |
|
Al6 .75 .25 0 .017 |
|
Al7 .75 .25 .5 .010 |
|
Si .424 0 .419 .86 .007 |
|
B .424 0 .419 .14 .007 |
|
B1 .096 0 .098 .007 |
|
B2 .379 0 .118 .88 .007 |
|
Si2 .379 0 .118 .12 .007 |
|
B3 .138 0 .360 .007 |
|
O1 .764 0 .269 .010 |
|
O2 .798 0 .440 .010 |
|
O3 .919 0 .218 .010 |
|
O4 .936 .739 .357 .010 |
|
O5 0 .5 .5 .010 |
|
O6 .325 0 .457 .010 |
|
O7 .322 .214 .106 .010 |
|
O8 .702 0 .074 .010 |
|
O9 .068 .214 .134 .010 |
|
O10 .452 0 .048 .010 |
|
O11 .166 .214 .397 .010 |
|
O12 .578 0 .280 .010 |
|
O13 .421 0 .204 .010 |
|
O14 .069 0 .296 .010 |
|
O15 .167 0 .041 .010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Olenite |
|
Hughes J M, Ertl A, Dyar M D, Grew E S, Shearer C K, Yates M G, Guidotti C V |
|
The Canadian Mineralogist 38 (2000) 861-868 |
|
Tetrahedrally coordinated boron in a tourmaline: Boron-rich olenite from |
|
Stoffhutte, Koralpe, Austria |
|
Locality: Stoffhutte, Koralpe, Austria |
|
_database_code_amcsd 0005693 |
|
15.731 15.731 7.0638 90 90 120 R3m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaX 0 0 1/4 .294 1.25 .00179 .00179 .0055 .000895 0 0 |
|
CaX 0 0 1/4 .400 1.25 .00179 .00179 .0055 .000895 0 0 |
|
AlY .12153 .060765 -.3248 .808 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
LiY .12153 .060765 -.3248 .119 .65 .00077 .00069 .0044 .000385 -.00035 -.000175 |
|
AlZ .29662 .26057 -.35807 .986 .579 .00076 .00088 .00271 .00043 -.000165 .000115 |
|
SiT .19113 .18921 .03576 .809 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
BT .19113 .18921 .03576 .177 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
AlT .19113 .18921 .03576 .014 .530 .00069 .00064 .00254 .000235 -.000005 -.000175 |
|
B .10896 .21792 .4856 .64 .00087 .00082 .0034 .00041 .0000 .0000 |
|
O1 0 0 -.1937 .63 1.08 .00153 .00153 .0049 .000765 0 0 |
|
OH1 0 0 -.1937 .31 1.08 .00153 .00153 .0049 .000765 0 0 |
|
F1 0 0 -.1937 .06 1.08 .00153 .00153 .0049 .000765 0 0 |
|
O2 .05978 .11956 .5249 1.10 .00168 .00069 .0065 .000345 .00005 .00010 |
|
O3 .2591 .12955 -.4590 1.00 .00229 .00124 .0032 .001145 -.00035 -.000175 |
|
O4 .09386 .18772 .1105 1.12 .00139 .00189 .0052 .000945 -.00025 -.00050 |
|
O5 .1858 .0929 .1314 1.13 .00202 .00143 .0050 .00101 .0001 .00005 |
|
O6 .19334 .18281 -.1913 .74 .00092 .00095 .0037 .00038 -.0000 -.0001 |
|
O7 .28671 .28591 .1098 .76 .00103 .00101 .0034 .00042 .00025 -.0001 |
|
O8 .20940 .26979 .4705 .72 .00076 .00108 .0040 .000455 .0002 .00055 |
|
H3 .248 .124 .423 1.35 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tassieite |
| |
Grew E S, Armbruster T, Medenbach O, Yates M G, Carson C J |
| |
The Canadian Mineralogist 45 (2007) 293-305 |
|
Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new |
|
hydrothermal wicksite-group mineral in fluorapatite nodules from granulite- |
|
facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica |
|
Locality: Larsemann Hills, Prydz Bay, East Antarctica |
|
Sample: 2 |
|
_database_code_amcsd 0006137 |
|
12.4595 11.5955 12.7504 90 90 90 Pbca |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 -.5 .5 .463 4.0 .041 .065 .047 -.018 .000 .033 |
|
Ca .23841 .00148 .37498 1.17 .0176 .0158 .0110 -.0009 .0019 -.0018 |
|
Fe2+1 .15147 -.23132 .20756 .232 .96 .0124 .0166 .0075 -.0004 .0008 -.0017 |
|
Fe3+1 .15147 -.23132 .20756 .084 .96 .0124 .0166 .0075 -.0004 .0008 -.0017 |
|
Mg1 .15147 -.23132 .20756 .684 .96 .0124 .0166 .0075 -.0004 .0008 -.0017 |
|
Fe3+2 .16801 .22717 .54175 .684 .70 .0094 .0110 .0061 -.0001 -.0004 .0002 |
|
Mg2 .16801 .22717 .54175 .316 .70 .0094 .0110 .0061 -.0001 -.0004 .0002 |
|
Fe2+3 .01814 -.46041 .27722 .657 2.46 .0374 .0149 .0412 .0055 -.0271 -.0045 |
|
Mg3 .01814 -.46041 .27722 .343 2.46 .0374 .0149 .0412 .0055 -.0271 -.0045 |
|
P1 .10935 .22866 .79975 .84 .0117 .0121 .0082 .0004 -.0005 -.0010 |
|
P2 .40130 .24099 .44377 .88 .0118 .0137 .0079 -.0016 .0016 .0000 |
|
P3 .26527 -.02302 .6246 .91 .0142 .0121 .0084 .0007 -.0012 .0004 |
|
O1 .0030 .2872 .7725 1.07 .012 .018 .011 .003 -.001 -.002 |
|
O2 .0908 .1050 .8353 1.16 .017 .014 .013 -.001 -.002 .004 |
|
O3 .1812 .2250 .7016 1.03 .012 .020 .007 .003 .000 -.001 |
|
O4 .1655 .3000 .8848 .92 .013 .016 .006 .001 .000 -.002 |
|
O5 .3356 .2421 .5456 .90 .014 .014 .007 .000 .003 .000 |
|
O6 .1525 -.1832 .3613 .98 .013 .016 .008 .001 .001 .003 |
|
O7 .4087 .1158 .4060 1.27 .019 .014 .016 -.001 .004 -.002 |
|
O8 .0122 .2062 .5333 1.07 .013 .017 .010 .003 .000 .001 |
|
O9 .1906 -.4174 .2038 1.18 .018 .015 .012 .000 .003 -.001 |
|
O10 .1491 -.0415 .1891 1.16 .018 .016 .010 -.002 .004 .004 |
|
O11 .1984 .0557 .5523 .97 .015 .014 .008 .000 -.002 .000 |
|
O12 .1745 .3960 .5494 1.22 .021 .013 .012 .000 -.005 -.001 |
|
Ow .0268 .0091 .3788 1.77 .024 .017 .026 .006 .005 -.001 |
|
H1 .007 .056 .414 1.4 |
|
H2 -.001 -.064 .394 12.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tassieite |
| |
Grew E S, Armbruster T, Medenbach O, Yates M G, Carson C J |
| |
The Canadian Mineralogist 45 (2007) 293-305 |
|
Tassieite, (Na,_)Ca2(Mg,Fe2+,Fe3+)2(Fe3+,Mg)2(Fe2+,Mg)2(PO4)6*2H2O, a new |
|
hydrothermal wicksite-group mineral in fluorapatite nodules from granulite- |
|
facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica |
|
Locality: Larsemann Hills, Prydz Bay, East Antarctica |
|
Sample: 1 |
|
_database_code_amcsd 0006138 |
|
12.4595 11.5955 12.7504 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na 0 -.5 .5 .478 .05308 .03602 .06414 .05908 -.01687 .00691 .03171 |
|
Ca .23844 .00149 .37483 .01290 .01465 .01179 .01225 -.00097 .00143 -.00160 |
|
Fe2+1 .15155 -.23132 .20766 .223 .01170 .00984 .01496 .01029 -.00062 .00064 -.00190 |
|
Fe3+1 .15155 -.23132 .20766 .092 .01170 .00984 .01496 .01029 -.00062 .00064 -.00190 |
|
Mg1 .15155 -.23132 .20766 .685 .01170 .00984 .01496 .01029 -.00062 .00064 -.00190 |
|
Fe3+2 .16782 .22709 .54179 .669 .00822 .00796 .00837 .00833 -.00014 -.00047 .00010 |
|
Mg2 .16782 .22709 .54179 .331 .00822 .00796 .00837 .00833 -.00014 -.00047 .00010 |
|
Fe2+3 .01822 -.46034 .27704 .643 .03086 .03538 .01262 .04458 .00524 -.02819 -.00448 |
|
Mg3 .01822 -.46034 .27704 .357 .03086 .03538 .01262 .04458 .00524 -.02819 -.00448 |
|
P1 .10937 .22868 .79962 .00958 .00898 .00994 .00980 .00018 -.00042 -.00047 |
|
P2 .40113 .24103 .44380 .00980 .00977 .01097 .00865 -.00072 .00089 -.00049 |
|
P3 .26529 -.02303 .62459 .01070 .01262 .00946 .01003 .00036 -.00078 -.00016 |
|
O1 .00278 .28730 .77247 .01395 .01093 .01465 .01627 .00335 -.00217 -.00122 |
|
O2 .09068 .10518 .83611 .01461 .01459 .01219 .01703 -.00080 -.00064 .00208 |
|
O3 .18127 .22479 .70143 .01318 .01074 .01769 .01110 -.00065 .00041 -.00131 |
|
O4 .16552 .30075 .88474 .01122 .01150 .01155 .01061 -.00073 -.00096 -.00277 |
|
O5 .33531 .24221 .54581 .01229 .01170 .01436 .01081 .00000 .00166 .00021 |
|
O6 .15261 -.18229 .36156 .01375 .01335 .01479 .01311 -.00068 .00001 .00058 |
|
O7 .40857 .11522 .40582 .01614 .02001 .01304 .01537 -.00250 .00380 -.00311 |
|
O8 .01239 .20647 .53392 .01455 .01201 .01530 .01634 .00240 .00079 -.00060 |
|
O9 .19080 -.41745 .20435 .01336 .01453 .01236 .01319 .00086 .00075 -.00180 |
|
O10 .14893 -.04136 .18903 .01604 .01580 .01389 .01842 -.00184 .00529 .00030 |
|
O11 .19836 .05556 .55213 .01297 .01541 .01027 .01322 -.00133 -.00203 .00075 |
|
O12 .17464 .39631 .54881 .01594 .01806 .01344 .01632 .00135 -.00533 -.00124 |
|
OW .02662 .00935 .37877 .02144 .01964 .01669 .02799 .00114 .00374 .00363 |
|
H1 -.005 -.061 .403 .16 |
|
H2 .005 .086 .420 .08 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Chopinite |
| |
Grew E S, Armbruster T, Medenbach O, Yates M G, Carson C J |
| |
European Journal of Mineralogy 19 (2007) 229-245 |
|
Chopinite, [(Mg,Fe)3_](PO4)2, a new mineral isostructural with sarcopside, |
|
from a fluorapatite segregation in granulite-facies paragneiss, Larsemann Hills, |
|
Prydz Bay, East Antarctica |
|
Locality: Brattnevet, Larsemann Hills, Prydz Bay, East Antarctica |
|
_database_code_amcsd 0007216 |
|
5.9305 4.7583 10.2566 90 90.663 90 P2_1/c |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .5 0 .5 .482 .77 .0126 .0065 .0103 -.0006 .0024 .0001 |
|
Fe1 .5 0 .5 .518 .77 .0126 .0065 .0103 -.0006 .0024 .0001 |
|
Fe2 .2377 .0118 .77910 .107 .70 .0093 .0088 .0086 -.0001 .0009 .0001 |
|
Mg2 .2377 .0118 .77910 .893 .70 .0093 .0088 .0086 -.0001 .0009 .0001 |
|
P .2562 -.4293 .59884 .76 .0112 .0078 .0099 .0000 .0005 -.0002 |
|
O1 .2756 .2519 .6058 .89 .013 .009 .012 .0009 .0014 -.0007 |
|
O2 .2552 -.3189 .4588 .92 .014 .0115 .0101 -.0010 -.0003 -.0002 |
|
O3 .0612 -.3153 .6789 .97 .011 .011 .015 -.0008 .0033 -.0019 |
|
O4 .5334 .2781 .3373 .95 .013 .0096 .014 .0000 .0003 -.0014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Werdingite |
|
Grew E S, Armbruster T, Lazic P, Yates M G, Medenbach O, Huijsmans J P P |
| |
European Journal of Mineralogy 23 (2011) 577-589 |
|
Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: |
|
The role of iron in a borosilicate with a mullite-type structure |
|
Locality: Bok se Puts, Namaqualand, South Africa |
|
_database_code_amcsd 0018636 |
|
7.98539 8.15541 11.40210 110.4360 110.8720 84.6780 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al41 .66192 .16733 .08260 .783 .00929 .0104 .0125 .0071 .00284 .00437 .00502 |
|
Fe41 .66192 .16733 .08260 .217 .00929 .0104 .0125 .0071 .00284 .00437 .00502 |
|
Al61 0 0 0 .00683 .00883 .00622 .00482 .00109 .00219 .00153 |
|
Al62 .00671 .00199 .25638 .00612 .00747 .00563 .00676 .00080 .00358 .00287 |
|
Al63 0 0 .5 .00540 .00634 .00524 .00449 .00081 .00210 .00142 |
|
Al64 .5 .5 0 .00655 .00831 .00681 .00474 -.00005 .00217 .00223 |
|
Al65 .50456 .49514 .25061 .00575 .00649 .00622 .00538 .00046 .00273 .00233 |
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Al66 .5 .5 .5 .00536 .00593 .00557 .00439 .00054 .00159 .00175 |
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Al51 .15283 .31745 .74137 .00584 .00537 .00683 .00537 .00071 .00190 .00221 |
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Al52 .22941 .67772 .35219 .00560 .00501 .00627 .00580 .00086 .00198 .00242 |
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Mg5 .12025 .31542 .23506 .817 .0074 .013 .010 .008 -.0015 .0026 .0028 |
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Fe5 .12025 .31542 .23506 .183 .0074 .0068 .0019 .006 .0004 .0038 .0011 |
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Si41 .64956 .15545 .33546 .00552 .00545 .00545 .00565 .00072 .00196 .00195 |
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Si42 .35016 .84060 .18110 .00553 .00564 .00549 .00567 .00060 .00215 .00202 |
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B31 .22515 .26990 .50164 .00672 .0067 .0071 .0065 -.0005 .0024 .0021 |
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B32 .2260 .2646 -.00535 .790 .0067 .0065 .0087 .0048 -.0022 .0015 .0020 |
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Al42 .2707 .2100 -.00708 .0025 .210 |
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O1 .02702 .54357 .26885 .01035 .0063 .0102 .0131 .0001 .0024 .0032 |
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O2 .15864 .19994 -.14743 .00937 .0093 .0100 .0098 -.0019 .0026 .0046 |
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O3 .16194 .20289 .57573 .00791 .0091 .0089 .0064 -.0020 .0033 .0023 |
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O4 .61719 .27323 .23757 .00986 .0105 .0087 .0118 .0034 .0040 .0056 |
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O5 .62422 .27660 -.03869 .01022 .0107 .0100 .0096 .0034 .0051 .0020 |
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O6 .63271 .28717 .47623 .00777 .0088 .0080 .0058 .0026 .0022 .0022 |
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O7 .64337 .56281 .17692 .00755 .0063 .0113 .0056 -.0013 .0020 .0031 |
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O8 .64064 .60339 -.06241 .00812 .0102 .0077 .0063 -.0021 .0029 .0016 |
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O9 .36152 .70819 .26222 .00801 .0097 .0078 .0093 .0026 .0053 .0048 |
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O10 .35213 .44885 .32593 .00662 .0056 .0088 .0060 .0006 .0021 .0029 |
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O11 .15243 .19777 .06348 .01200 .0127 .0145 .0092 -.0022 .0026 .0049 |
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O12 .10159 -.12354 .37161 .00920 .0131 .0101 .0084 .0066 .0073 .0058 |
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O13 .15812 .20010 .36580 .00974 .0107 .0118 .0055 -.0028 .0018 .0017 |
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O14 .15216 -.07588 .14696 .00770 .0071 .0096 .0074 .0023 .0030 .0039 |
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O15 -.14790 .08200 .36108 .00738 .0070 .0092 .0073 .0031 .0033 .0043 |
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O16 -.10002 .12373 .13351 .01244 .0186 .0133 .0097 .0082 .0085 .0073 |
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O17 .34910 .40594 .56551 .00733 .0072 .0082 .0064 -.0022 .0019 .0021 |
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O18 .50411 -.00623 .26882 .01161 .0104 .0110 .0119 -.0037 .0024 .0027 |
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O19A .5895 -.0494 .0111 .210 .0090 .0181 .0118 .0111 -.0050 .0044 .0014 |
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O19B .5 0 0 .58 .0142 .010 .0053 .0095 -.0038 .0022 .0001 |
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Werdingite |
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Grew E S, Armbruster T, Lazic P, Yates M G, Medenbach O, Huijsmans J P P |
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European Journal of Mineralogy 23 (2011) 577-589 |
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Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: |
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The role of iron in a borosilicate with a mullite-type structure |
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Locality: Almgjotheii, Norway |
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_database_code_amcsd 0018637 |
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7.9696 8.1559 11.3607 110.364 110.881 84.670 P-1 |
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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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Al41 .65844 .16335 .08062 .748 .01067 .0110 .0161 .00738 .00315 .00426 .00647 |
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Fe41 .65844 .16335 .08062 .122 .01067 .0110 .0161 .00738 .00315 .00426 .00647 |
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Al5N .7677 .3220 .1482 .133 .0072 |
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Al61 0 0 0 .00745 .0079 .0093 .0049 .00095 .00166 .00283 |
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Al62 .00361 .00102 .25373 .00688 .00700 .00900 .00632 .00080 .00284 .00418 |
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Al63 0 0 .5 .00694 .0071 .0088 .0045 .00095 .00156 .00255 |
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Al64 .5 .5 0 .00796 .0089 .0105 .0045 -.00099 .00167 .00302 |
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Al65 .50290 .49593 .24965 .00703 .00736 .00926 .00573 -.00028 .00267 .00348 |
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Al66 .5 .5 .5 .00690 .0076 .0088 .0043 -.00019 .00150 .00278 |
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Al51 .14937 .31621 .74093 .964 .00977 .0141 .0099 .00647 -.00038 .00430 .00321 |
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Fe51 .14937 .31621 .74093 .036 .00977 .0141 .0099 .00647 -.00038 .00430 .00321 |
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Al52 .23029 .67877 .35245 .9064 .00744 .00606 .00967 .00677 .00041 .00177 .00350 |
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FeX .3394 .8366 .4191 .0936 .0202 |
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Mg5A .11859 .31697 .23438 .24 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Fe5A .11859 .31697 .23438 .353 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Al5A .11859 .31697 .23438 .407 .00997 .01549 .00786 .00694 -.00179 .00411 .00218 |
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Si41 .64944 .15600 .33268 .910 .00663 .00497 .00646 .00789 .00009 .00145 .00254 |
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B41 .64944 .15600 .33268 .090 .00663 .00497 .00646 .00789 .00009 .00145 .00254 |
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Si42 .34960 .84114 .17868 .910 .00640 .00495 .00689 .00719 .00012 .00130 .00298 |
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B42 .34960 .84114 .17868 .090 .00640 .00495 .00689 .00719 .00012 .00130 .00298 |
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B31 .2256 .2700 .50082 .944 .0079 .0067 .0105 .0060 -.0018 .0013 .0028 |
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Al31 .276 .204 .4950 .056 .032 |
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Al42 .2706 .2100 -.0061 .1569 .0084 |
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B32 .2264 .2665 -.00362 .8431 .0084 |
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O1 .02741 .5437 .26878 .867 .0122 .0062 .0158 .0132 -.0008 .0014 .0051 |
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O1A -.0307 .4581 .2357 .133 .0122 .0062 .0158 .0132 -.0008 .0014 .0051 |
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O2 .15811 .20142 -.14475 .01146 .0115 .0149 .0082 -.0032 .0017 .0052 |
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O3 .16138 .20233 .57434 .01012 .0098 .0130 .0078 -.0029 .0027 .0033 |
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O4 .62253 .27526 .23626 .01096 .0112 .0117 .0104 .0027 .0037 .0050 |
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O5 .62759 .27762 -.03540 .01157 .0126 .0134 .0106 .0044 .0055 .0056 |
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O6 .63272 .28700 .47385 .01060 .0110 .0125 .0096 .0044 .0039 .0058 |
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O7 .64286 .56404 .17684 .00827 .0068 .0132 .0054 -.0017 .0015 .0039 |
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O8 .64341 .60185 -.06246 .00924 .0110 .0107 .0060 -.0036 .0025 .0022 |
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O9 .36244 .71045 .26149 .00975 .0093 .0119 .0108 .0032 .0055 .0058 |
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O10 .35234 .44727 .32514 .00892 .0064 .0149 .0064 .0002 .0020 .0050 |
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O11 .15334 .19986 .06573 .01386 .0127 .0189 .0111 -.0046 .0021 .0072 |
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O12 .10065 -.12340 .37065 .01190 .0153 .0158 .0093 .0081 .0080 .0079 |
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O13 .15731 .20098 .36329 .01285 .0123 .0186 .0057 -.0041 .0016 .0022 |
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O14 .15106 -.07580 .14559 .00902 .0072 .0140 .0071 .0025 .0027 .0054 |
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O15 -.14832 .08051 .35956 .00875 .0077 .0127 .0074 .0024 .0030 .0053 |
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O16 -.10309 .12247 .13140 .0144 .0180 .0198 .0113 .0106 .0093 .0104 |
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O17 .34991 .40503 .56497 .00900 .0100 .0110 .0059 -.0034 .0019 .0027 |
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O18 .50229 -.00420 .26621 .0178 .0125 .0152 .0223 -.0039 .0019 .0055 |
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O19A .5927 -.0494 .0105 .1569 .0146 |
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O19B .5 0 0 .56 .0146 |
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O20 .5 0 .5 .0936 .029 |
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View JMOL 3-D Structure
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