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Uvarovite |
 |
Wildner M, Andrut M |
 |
American Mineralogist 86 (2001) 1231-1251 |
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The crystal chemistry of birefringent natural uvarovites: Part II. |
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Single-crystal X-ray structures |
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Sample: Sar-k12 |
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_database_code_amcsd 0002723 |
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11.965 11.965 11.965 90 90.14 90.01 I-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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Ca1 .12500 -.00015 .25003 .0056 .0041 .0063 .0063 .0000 -.0001 .0009 |
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Ca2 .37504 -.00012 .75000 .0056 .0041 .0064 .0063 .0000 -.0002 -.0011 |
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Ca3 .24999 .12501 .00000 .0056 .0065 .0040 .0064 -.0001 .0009 .0000 |
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Ca4 .74998 .37501 -.00003 .0056 .0065 .0039 .0065 -.0001 -.0013 .0000 |
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Ca5 .00003 .25016 .12503 .0056 .0064 .0063 .0040 .0010 -.0000 .0000 |
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Ca6 -.00001 .75019 .37484 .0056 .0065 .0063 .0041 -.0011 -.0002 .0000 |
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Cr1 0 0 0 .861 .0038 .0040 .0036 .0037 -.0000 -.0000 -.0001 |
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Al1 0 0 0 .139 .0038 .0040 .0036 .0037 -.0000 -.0000 -.0001 |
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Cr2 1/2 0 1/2 .524 .0039 .0040 .0036 .0039 -.0001 -.0002 .0001 |
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Al2 1/2 0 1/2 .476 .0039 .0040 .0036 .0039 -.0001 -.0002 .0001 |
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Cr3 0 1/2 1/2 .910 .0040 .0042 .0038 .0039 -.0000 -.0001 -.0000 |
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Al3 0 1/2 1/2 .090 .0040 .0042 .0038 .0039 -.0000 -.0001 -.0000 |
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Cr4 1/2 1/2 0 .572 .0040 .0042 .0039 .0038 .0001 -.0003 .0001 |
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Al4 1/2 1/2 0 .428 .0040 .0042 .0039 .0038 .0001 -.0003 .0001 |
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Cr5 3/4 .25 .25 .644 .0039 .0041 .0037 .0041 -.0000 -.0003 .0001 |
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Al5 3/4 .25 .25 .356 .0039 .0041 .0037 .0041 -.0000 -.0003 .0001 |
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Cr6 3/4 3/4 3/4 .929 .0038 .0039 .0037 .0039 .0000 -.0002 -.0000 |
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Al6 3/4 3/4 3/4 .071 .0038 .0039 .0037 .0039 .0000 -.0002 -.0000 |
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Cr7 .25 .25 3/4 .866 .0039 .0041 .0038 .0039 -.0001 -.0002 -.0000 |
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Al7 .25 .25 3/4 .134 .0039 .0041 .0038 .0039 -.0001 -.0002 -.0000 |
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Cr8 .25 3/4 .25 .543 .0040 .0042 .0037 .0041 -.0002 -.0003 -.0001 |
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Al8 .25 3/4 .25 .457 .0040 .0042 .0037 .0041 -.0002 -.0003 -.0001 |
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Si1 .37495 -.00071 .25061 .0041 .0040 .0041 .0042 .0000 -.0002 -.0000 |
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Si2 .12497 -.00041 .74957 .0041 .0040 .0041 .0042 -.0002 -.0001 .0000 |
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Si3 .24989 .37564 -.00012 .0047 .0052 .0041 .0048 -.0001 -.0003 .0001 |
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Si4 .75012 .12560 -.00021 .0047 .0047 .0041 .0052 -.0002 -.0003 .0000 |
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Si5 -.00044 .24941 .37512 .0041 .0043 .0042 .0039 -.0001 -.0001 -.0001 |
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Si6 .00055 .74938 .12496 .0044 .0048 .0045 .0041 -.0000 -.0002 .0002 |
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O1 .03881 .04655 .65278 .0054 .0053 .0062 .0046 .0003 -.0006 .0004 |
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O2 .46096 -.04767 .15413 .0051 .0057 .0055 .0042 .0004 .0007 -.0002 |
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O3 -.03881 .54625 -.15262 .0055 .0055 .0064 .0045 -.0003 -.0004 -.0009 |
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O4 .53912 .45266 -.65393 .0053 .0051 .0063 .0045 -.0002 .0005 .0001 |
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O5 .65383 .03933 .04743 .0056 .0049 .0061 .0059 -.0001 .0001 -.0006 |
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O6 .15274 .46185 -.04671 .0055 .0048 .0058 .0060 .0001 -.0003 .0002 |
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O7 -.15286 -.03829 .54666 .0055 .0046 .0058 .0061 .0002 -.0003 -.0003 |
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O8 -.65373 .53922 .45255 .0055 .0050 .0058 .0057 .0000 .0000 .0001 |
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O9 .04682 .65255 .03857 .0055 .0058 .0051 .0055 .0003 .0003 -.0001 |
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O10 -.04686 .15266 .46143 .0054 .0059 .0053 .0050 -.0006 .0004 .0002 |
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O11 .54718 -.15407 -.03896 .0053 .0060 .0049 .0049 -.0005 .0000 -.0005 |
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O12 .45301 -.65406 .53900 .0055 .0060 .0047 .0058 .0003 -.0001 .0000 |
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O13 .79663 .28823 -.40270 .0055 .0065 .0050 .0050 .0003 -.0001 -.0003 |
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O14 .70279 .71067 .09642 .0054 .0059 .0058 .0045 -.0003 .0000 .0001 |
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O15 .29759 .21072 .40398 .0054 .0058 .0061 .0042 .0003 .0001 -.0001 |
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O16 .20298 .78818 .90310 .0056 .0063 .0058 .0047 -.0001 -.0002 .0001 |
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O17 .78908 .90396 .20299 .0053 .0054 .0044 .0060 -.0003 -.0001 -.0006 |
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O18 .21081 .40426 .29702 .0054 .0052 .0050 .0058 .0003 -.0005 .0004 |
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O19 .71129 .09750 .70299 .0054 .0053 .0051 .0060 -.0003 .0002 .0004 |
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O20 .28886 -.40303 .79688 .0053 .0054 .0046 .0058 .0002 .0001 -.0003 |
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O21 .40410 .29770 .21084 .0051 .0042 .0061 .0050 .0004 .0003 -.0005 |
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O22 .90263 .20371 .78876 .0057 .0051 .0061 .0059 -.0009 .0001 -.0004 |
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O23 -.40396 .79750 .28903 .0053 .0044 .0060 .0054 -.0004 .0003 -.0001 |
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O24 .09705 .70338 .71098 .0054 .0048 .0064 .0050 .0006 -.0001 .0002 |
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| |
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Uvarovite |
|
Wildner M, Andrut M |
|
American Mineralogist 86 (2001) 1231-1251 |
|
The crystal chemistry of birefringent natural uvarovites: Part II. |
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Single-crystal X-ray structures |
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Sample: Sar-899 |
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_database_code_amcsd 0002724 |
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11.959 16.958 16.958 90 90 90 *Fddd |
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.125 .125 .125 |
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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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Ca11256 .00019 .06251 -.18750 .0056 .0063 .0051 .0053 -.0007 .0007 -.0011 |
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Ca23 -1/8 -1/8 -1/8 .0055 .0039 .0053 .0074 0 0 0 |
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Ca34 -3/8 -3/8 -3/8 .0055 .0039 .0072 .0055 0 0 0 |
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Cr11367 0 0 0 .888 .0038 .0037 .0036 .0040 -.0000 .0001 .0000 |
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Al11367 0 0 0 .112 .0038 .0037 .0036 .0040 -.0000 .0001 .0000 |
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Cr22458 0 0 -1/2 .535 .0036 .0035 .0036 .0037 .0000 .0000 -.0001 |
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Al22458 0 0 -1/2 .465 .0036 .0035 .0036 .0037 .0000 .0000 -.0001 |
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Si11256 .00068 -.06221 -.31277 .0041 .0041 .0038 .0043 .0001 .0001 -.0001 |
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Si234 -.37565 -1/8 -1/8 .0041 .0037 .0040 .0045 0 0 .0002 |
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O1 -.04628 .30693 -.34570 .0055 .0059 .0056 .0051 -.0001 .0006 .0001 |
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O2 .04757 .34657 -.80752 .0052 .0058 .0045 .0053 .0004 -.0000 .0004 |
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O3 -.03936 -.30325 -.35060 .0055 .0057 .0050 .0057 -.0002 -.0002 -.0007 |
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O4 -.46170 -.59976 -.55307 .0056 .0056 .0065 .0047 .0000 .0004 -.0005 |
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O5 -.65255 -.00410 -.04280 .0054 .0050 .0052 .0061 .0003 .0002 .0003 |
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O6 .15414 -.29305 -.25395 .0055 .0047 .0061 .0056 .0001 -.0006 .0004 |
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View JMOL 3-D Structure
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| |
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Uvarovite |
|
Wildner M, Andrut M |
|
American Mineralogist 86 (2001) 1231-1251 |
|
The crystal chemistry of birefringent natural uvarovites: Part II. |
|
Single-crystal X-ray structures |
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Sample: Ska-1 |
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_database_code_amcsd 0002725 |
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11.925 11.926 11.926 90.04 90.10 90.04 I-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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Ca1 .12514 -.00024 .25007 .0056 .0040 .0063 .0066 .0001 .0000 .0008 |
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Ca2 .37506 -.00017 .74998 .0056 .0039 .0062 .0066 .0001 -.0001 -.0012 |
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Ca3 .25012 .12498 -.00000 .0056 .0062 .0040 .0066 -.0000 .0009 -.0002 |
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Ca4 .75014 .37491 -.00009 .0056 .0062 .0039 .0067 .0000 -.0010 -.0001 |
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Ca5 -.00003 .25016 .12501 .0056 .0062 .0063 .0043 .0010 .0001 -.0002 |
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Ca6 .00011 .75006 .37495 .0056 .0063 .0064 .0042 -.0009 .0001 -.0002 |
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Cr1 0 0 0 .746 .0041 .0040 .0039 .0042 -.0000 -.0001 -.0001 |
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Al1 0 0 0 .254 .0041 .0040 .0039 .0042 -.0000 -.0001 -.0001 |
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Cr2 1/2 0 1/2 .347 .0037 .0035 .0036 .0040 -.0001 .0001 -.0002 |
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Al2 1/2 0 1/2 .653 .0037 .0035 .0036 .0040 -.0001 .0001 -.0002 |
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Cr3 0 1/2 1/2 .431 .0040 .0040 .0038 .0042 -.0001 -.0001 -.0001 |
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Al3 0 1/2 1/2 .569 .0040 .0040 .0038 .0042 -.0001 -.0001 -.0001 |
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Cr4 1/2 1/2 0 .526 .0037 .0034 .0035 .0040 .0000 -.0000 -.0002 |
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Al4 1/2 1/2 0 .474 .0037 .0034 .0035 .0040 .0000 -.0000 -.0002 |
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Cr5 3/4 .25 .25 .483 .0040 .0039 .0039 .0042 .0001 -.0000 -.0001 |
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Al5 3/4 .25 .25 .517 .0040 .0039 .0039 .0042 .0001 -.0000 -.0001 |
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Cr6 3/4 3/4 3/4 .722 .0039 .0038 .0038 .0041 .0002 -.0001 -.0001 |
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Al6 3/4 3/4 3/4 .278 .0039 .0038 .0038 .0041 .0002 -.0001 -.0001 |
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Cr7 .25 .25 3/4 .709 .0040 .0039 .0040 .0042 .0001 .0001 -.0002 |
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Al7 .25 .25 3/4 .291 .0040 .0039 .0040 .0042 .0001 .0001 -.0002 |
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Cr8 .25 3/4 .25 .280 .0035 .0032 .0034 .0039 .0001 .0000 -.0002 |
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Al8 .25 3/4 .25 .720 .0035 .0032 .0034 .0039 .0001 .0000 -.0002 |
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Si1 .37519 -.00085 .25005 .0040 .0036 .0039 .0046 .0001 -.0000 -.0001 |
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Si2 .12518 -.00052 .74975 .0040 .0035 .0040 .0044 .0001 -.0002 -.0002 |
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Si3 .24957 .37549 .00001 .0040 .0040 .0034 .0045 .0001 -.0002 -.0001 |
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Si4 .74930 .12542 -.00040 .0040 .0040 .0035 .0045 .0001 -.0003 -.0000 |
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Si5 -.00039 .25029 .37519 .0040 .0041 .0042 .0038 -.0001 -.0001 -.0003 |
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Si6 .00086 .74925 .12516 .0040 .0040 .0041 .0039 .0001 .0000 -.0002 |
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O1 .03883 .04655 .65277 .0056 .0054 .0064 .0049 .0007 -.0004 .0005 |
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O2 .46161 -.04652 1.15259 .0053 .0050 .0060 .0049 .0002 .0005 -.0006 |
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O3 -.03863 .54557 -.15223 .0057 .0059 .0060 .0052 .0000 -.0004 -.0005 |
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O4 .53897 .45257 -.65358 .0054 .0057 .0060 .0046 -.0003 .0007 .0004 |
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O5 .65230 .03907 .04603 .0054 .0044 .0052 .0066 -.0004 .0012 .0002 |
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O6 1.15216 .46157 -.04633 .0053 .0046 .0050 .0063 .0004 -.0003 .0003 |
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O7 -.15311 -.03832 .54684 .0054 .0049 .0054 .0059 -.0003 -.0002 -.0006 |
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O8 -.65379 .53901 .45298 .0055 .0047 .0055 .0062 .0006 .0007 -.0007 |
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O9 .04659 .65203 .03842 .0055 .0060 .0049 .0055 .0003 .0008 -.0003 |
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O10 -.04678 1.15310 .46142 .0055 .0063 .0049 .0054 -.0004 .0006 .0003 |
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O11 .54633 -.15250 -.03855 .0054 .0060 .0048 .0055 -.0006 -.0001 -.0006 |
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O12 .45357 -.65371 .53922 .0053 .0060 .0045 .0055 .0002 -.0004 .0002 |
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O13 .79631 .28818 -.40198 .0054 .0060 .0048 .0054 .0004 -.0002 .0005 |
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O14 .70326 .71074 .09667 .0055 .0062 .0053 .0050 .0001 .0006 -.0007 |
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O15 .29731 .21101 1.40331 .0055 .0055 .0059 .0050 -.0005 .0008 .0000 |
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O16 .20406 .78855 .90276 .0055 .0058 .0056 .0052 -.0005 -.0001 -.0005 |
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O17 .78871 .90351 .20299 .0055 .0054 .0048 .0064 -.0004 -.0003 -.0007 |
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O18 .21081 1.40372 .29664 .0053 .0049 .0047 .0064 .0004 .0000 .0004 |
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O19 .71134 .09825 .70410 .0054 .0048 .0051 .0061 -.0005 .0005 .0003 |
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O20 .28853 -.40247 .79675 .0054 .0050 .0045 .0068 .0003 .0007 -.0006 |
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O21 1.40345 .29670 .21078 .0054 .0045 .0062 .0054 .0007 .0007 -.0004 |
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O22 .90179 .20424 .78851 .0054 .0048 .0060 .0053 -.0004 -.0004 -.0006 |
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O23 -.40363 .79704 .28885 .0056 .0049 .0066 .0053 -.0005 .0006 .0001 |
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O24 .09746 .70340 .71145 .0053 .0046 .0058 .0055 .0010 -.0002 .0000 |
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|
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Manganlotharmeyerite |
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Brugger J, Krivovichev S V, Kolitsch U, Meisser N, Andrut M, Ansermet S, Burns P C |
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The Canadian Mineralogist 40 (2002) 1597-1608 |
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Description and crystal structure of manganlotharmeyerite, |
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Ca(Mn,_,Mg)2{AsO4,[AsO2(OH)2]}2(OH,H2O)2, from the Starlera Mn-deposit, |
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Swiss Alps, and a redefinition of lotharmeyerite |
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Locality: Starlera Mn-deposit, Swiss Alps |
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_database_code_amcsd 0005797 |
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9.043 6.2314 7.3889 90 116.392 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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Ca1 0 0 0 .0144 .0166 .0150 .0105 0 .0051 0 |
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Mn2 .25 .25 .5 .59 .0099 .0096 .0101 .0080 .0000 .0021 .0002 |
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Mg2 .25 .25 .5 .17 .0099 .0096 .0101 .0080 .0000 .0021 .0002 |
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As .91498 .5 .20524 .0102 .0089 .0112 .0089 0 .0026 0 |
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OH1 .3385 .5 .4098 .59 .0195 .015 .022 .019 0 .006 0 |
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Wat1 .3385 .5 .4098 .41 .0195 .015 .022 .019 0 .006 0 |
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O2 .3170 0 .3573 .0190 .019 .019 .022 0 .012 0 |
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O3 .0351 .2793 .2468 .0186 .0168 .0164 .020 .0008 .0061 -.0010 |
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O4 .2420 .5000 .0237 .0222 .017 .031 .013 0 .002 0 |
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|
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Satterlyite |
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Kolitsch U, Andrut M, Giester G |
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European Journal of Mineralogy 14 (2002) 127-133 |
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Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure |
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and infrared absorption spectra |
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Note: z-coordinate of O6 altered by author, August 2003. |
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_database_code_amcsd 0006926 |
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11.355 11.355 5.0394 90 90 120 P31m |
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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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FeM1 .32918 .85077 .01101 .838 .01032 .00807 .01038 .00916 .00211 .00059 -.00229 |
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MgM1 .32918 .85077 .01101 .162 .01032 .00807 .01038 .00916 .00211 .00059 -.00229 |
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FeM2 .17508 .85376 .50440 .706 .0087 .00898 .0079 .00909 .00413 -.00001 .00038 |
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MgM2 .17508 .85376 .50440 .294 .0087 .00898 .0079 .00909 .00413 -.00001 .00038 |
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P1 0 0 .27825 .00745 .0069 .0069 .0085 .00345 0 0 |
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P2 1/3 2/3 .52733 .00671 .00744 .00744 .0052 .0026 0 0 |
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P3 .34138 .34138 .97775 .00676 .00686 .00686 .0068 .00362 -.00074 -.00074 |
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O1 .87239 .87239 .3697 .0192 .0090 .0090 .0377 .0029 .0058 .0058 |
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O2 .27631 .75462 .6355 .01207 .0152 .0130 .0126 .0105 -.0010 -.0013 |
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O3 .26833 .26833 .7203 .0119 .0137 .0137 .0118 .0096 -.0053 -.0053 |
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O4 .12718 .75025 .1427 .0120 .0085 .0150 .0094 .0035 -.0018 -.0016 |
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O5 .47330 .47330 .9051 .0134 .0095 .0095 .0170 .0015 .0004 .0004 |
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O6 1/3 2/3 .2187 .0162 .0213 .0213 .0060 .01065 0 0 |
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Oh1 .62619 .62619 .3250 .0112 .0121 .0121 .0082 .0052 -.0002 -.0002 |
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Oh2 .72336 .72336 .8162 .0116 .0127 .0127 .0100 .0069 -.0028 -.0028 |
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Oh3 0 0 -.0305 .0397 .0549 .0549 .0095 .02745 0 0 |
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H1 .563 .563 .416 .0240 |
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H2 .805 .805 .904 .0210 |
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|
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Sailaufite |
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Wildner M, Tillmanns E, Andrut M, Lorenz J |
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European Journal of Mineralogy 15 (2003) 555-564 |
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Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from |
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Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship |
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to mitridatite-group minerals and pararobertsite |
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Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany |
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_database_code_amcsd 0007000 |
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11.253 19.628 8.932 90 100.05 90 Cm |
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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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CaA1* .21795 .15628 .9255 .207 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
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NaA1* .21795 .15628 .9255 .793 .0142 .0128 .0189 .0109 -.0007 .0019 -.0005 |
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CaA2* .7553 0 .9254 .046 .0130 .0186 .0120 .0082 0 .0019 0 |
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NaA2* .7553 0 .9254 .954 .0130 .0186 .0120 .0082 0 .0019 0 |
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CaA3* .97944 .17535 .58638 .987 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
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NaA3* .97944 .17535 .58638 .013 .0115 .0121 .0105 .0117 .0008 .0016 -.0002 |
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Ca4 .51193 0 .5864 .0112 .0109 .0128 .0102 0 .0029 0 |
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Mn1 .62816 0 .25465 .0061 .0044 .0078 .0063 0 .0015 0 |
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Mn2 .10012 .16687 .24963 .00534 .0028 .0066 .0066 .00013 .0006 .00016 |
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Mn3 .34947 .24145 .25145 .00522 .0050 .0046 .0059 -.0018 .0006 -.0004 |
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Mn4 .86236 .08735 .24994 .00550 .0061 .0036 .0067 -.0012 .0009 .0006 |
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Mn5 .36306 .07965 1.25199 .00544 .0062 .0044 .0059 .0014 .0014 -.0004 |
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As1 .83715 0 .53900 .00691 .0072 .0066 .0070 0 .0013 0 |
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As2 .42147 0 .97103 .00821 .0085 .0087 .0077 0 .0023 0 |
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As3 .30697 .15817 .53815 .00754 .0076 .0075 .0075 -.00030 .0014 .00011 |
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As4 .89143 .17537 .96652 .00767 .0080 .0078 .0073 .00072 .0017 .00029 |
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C1 .1038 0 .2328 .0115 .005 .002 .030 0 .007 0 |
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C2 .1107 .3336 .2603 .0067 .0073 .0117 .001 -.0003 -.0005 -.0007 |
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Ow1 .1924 0 .6078 .0174 .014 .020 .018 0 .004 0 |
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Ow2 .5288 .16292 .9100 .0235 .021 .025 .025 -.0001 .007 .0004 |
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O1 .8747 0 .7249 .0111 .012 .015 .006 0 .000 0 |
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O2* .6877 0 .4770 .0100 .0015 .015 .015 0 .006 0 |
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O3 .8939 .07107 .4685 .0090 .0101 .0101 .005 -.0045 -.0026 .0013 |
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O4 .3573 .06936 1.0371 .0085 .0115 .0075 .0064 .0035 .0006 .0014 |
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O5 .4058 0 .7847 .0129 .015 .018 .005 0 .000 0 |
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O6 .5710 0 .0409 .0093 .008 .012 .009 0 .005 0 |
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O7 .3253 .15729 .7234 .0145 .0114 .0232 .009 .0031 .0020 -.0003 |
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O8 .1561 .15711 .4657 .0097 .0043 .0139 .011 -.0033 .0003 .0004 |
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O9 .3694 .22778 .4728 .0080 .0095 .0078 .0072 -.0022 .0028 .0027 |
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O10 .3730 .08885 .4715 .0098 .0118 .0090 .008 .0071 .0013 -.0012 |
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O11 .8322 .10483 1.0369 .0104 .0147 .0086 .008 -.0055 .0019 .0012 |
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O12 1.0419 .17590 1.0343 .0097 .0080 .0176 .002 -.0001 -.0024 -.0009 |
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O13 .8302 .24504 1.0379 .0107 .0135 .0109 .009 .0032 .0045 -.0002 |
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O14 .8575 .17604 .7796 .0124 .0155 .0158 .006 .0001 .0025 -.0004 |
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O15 .2598 .15674 .2132 .0047 .0026 .0058 .005 .0001 -.0011 .0007 |
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O16 .4378 .32466 .2933 .0069 .0068 .0041 .011 .0008 .0041 -.0007 |
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O17 .7896 0 .2126 .0057 .0047 .0051 .006 0 -.0023 0 |
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O18 .4666 0 1.2966 .0066 .005 .0050 .009 0 .0000 0 |
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O19 .0491 .05692 .2336 .0103 .0056 .0071 .018 .0016 .0028 -.0001 |
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O20 .1637 .27526 .2638 .0111 .0077 .0060 .019 -.0002 .0006 .0015 |
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O21 .2220 0 .2507 .0101 .001 .008 .021 0 .003 0 |
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O22 -.0047 .33592 .2489 .0120 .0042 .0075 .024 .0018 .0009 .0019 |
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O23 .1723 .38808 .2653 .0128 .0094 .0063 .023 .0000 .0042 -.0023 |
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O24 .0756 .0883 .7598 .0156 .016 .016 .013 .0003 -.0001 -.0012 |
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O25 .6392 .08056 .7386 .0208 .0166 .0205 .025 -.0015 .0033 -.0080 |
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O26 1.1209 .2469 .7418 .0207 .014 .0167 .031 -.0074 .0037 -.0112 |
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H11 .159 .0377 .574 2/3 .057 |
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H12 .265 0 .658 2/3 .057 |
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H21 .474 .133 .852 .057 |
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H22 .512 .170 .996 .057 |
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H241 .096 .038 .727 .057 |
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H242 -.007 .070 .755 .057 |
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H251 .700 .107 .703 .057 |
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H252 .607 .102 .806 .057 |
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H261 1.104 .273 .817 .057 |
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H262 1.175 .262 .696 .057 |
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|
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View JMOL 3-D Structure
|
| |
|
Uvarovite |
|
Andrut M, Wildner M |
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Physics and Chemistry of Minerals 29 (2002) 595-608 |
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The crystal chemistry of birefringent natural uvarovites. Part III. Application of the |
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superposition model of crystal fields with a characterization of synthetic cubic uvarovite |
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Sample: Uvasyn-22 |
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_database_code_amcsd 0008734 |
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11.9973 11.9973 11.9973 90 90 90 Ia-3d |
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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 .125 0 .25 .0056 .0040 .0063 .0063 0 0 .0009 |
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Cr 0 0 0 .0034 .0034 .0034 .0034 .0000 .0000 .0000 |
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Si .375 0 .25 .0032 .0030 .0033 .0033 0 0 0 |
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O .03917 .04770 .65433 .0052 .0051 .0059 .0045 .0005 -.0007 .0002 |
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