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Dellaite |
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Ganiev R M, Ilyukhin V V, Belov N V |
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Doklady Akademii Nauk SSSR 190 (1970) 831-834 |
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Crystal structure of cement phase Y=Ca6[Si2O7][SiO4](OH)2 |
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Locality: synthetic |
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_database_code_amcsd 0012449 |
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6.85 6.95 12.9 90.75 97.33 98.25 P-1 |
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atom x y z Biso |
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Ca1 .082 .194 .103 .17 |
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Ca2 .192 .206 .489 .17 |
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Ca3 .315 .191 .876 .17 |
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Ca4 .560 .034 .321 .17 |
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Ca5 .894 .468 .291 .17 |
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Ca6 .595 .477 .703 .17 |
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Si1 .618 .291 .098 .17 |
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Si2 .809 .285 .885 .17 |
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Si3 .715 .299 .509 .17 |
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O1 .614 .490 .166 .17 |
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O2 .394 .188 .053 .17 |
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O3 .615 .184 .806 .17 |
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O4 .747 .153 .174 .17 |
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O5 .988 .149 .910 .17 |
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OH6 .229 .165 .300 .17 |
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O7 .850 .130 .486 .17 |
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OH8 .192 .210 .685 .17 |
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O9 .530 .215 .565 .17 |
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O10 .743 .336 .999 .17 |
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O11 .643 .368 .393 .17 |
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O12 .836 .482 .581 .17 |
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O13 .112 .510 .170 .17 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Dellaite |
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Armbruster T, Lazic B, Gfeller F, Galuskin E V, Galuskina I O, |
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Savelyeva V B, Zadov A E, Pertsev N N, Dzierzanowski P |
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Mineralogical Magazine 75 (2011) 379-394 |
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Chlorine content and crystal chemistry of dellaite from the Birkhin |
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gabbro massif, Eastern Siberia, Russia |
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Note: Cl-free dellaite |
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Locality: the Birkhin gabbro massif, Eastern Siberia, Russia |
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_database_code_amcsd 0018879 |
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6.8155 6.9363 12.8904 90.652 97.659 98.195 P-1 |
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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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Ca1 .08078 .19501 .10167 .01175 .01179 .00962 .01384 .00088 .00468 .00299 |
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Ca2 .19107 .20688 .48981 .01202 .01053 .01064 .01462 .00028 .00181 .00275 |
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Ca3 .89363 .46847 .29036 .01160 .00861 .01672 .00922 .00005 .00239 .00048 |
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Ca4 .55859 .03393 .32091 .01210 .01715 .00823 .01085 .00044 .00417 .00095 |
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Ca5 .31655 .19088 .87633 .01045 .01159 .00971 .01031 .00048 .00466 .00009 |
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Ca6 .59254 .47476 .70369 .01015 .01043 .01190 .00880 .00234 .00298 .00044 |
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Si1 .61470 .28863 .09768 .00786 .00845 .00782 .00741 .00031 .00247 .00060 |
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Si2 .81039 .28402 .88458 .00744 .00768 .00700 .00773 .00023 .00275 .00016 |
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Si3 .71566 .29857 .50878 .00753 .00792 .00707 .00770 .00009 .00258 .00057 |
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O1 .61764 .48774 .16476 .01056 .0120 .0096 .0103 .0011 .0031 .0015 |
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O2 .39215 .18998 .05336 .01277 .0103 .0152 .0120 .0011 .0018 .0017 |
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O3 .61669 .18463 .80559 .01069 .0111 .0094 .0107 .0011 .0013 .0004 |
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O4 .74537 .15293 .17621 .01106 .0120 .0099 .0113 .0017 .0015 .0012 |
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O5 .98600 .14945 .91036 .01181 .0100 .0107 .0153 .0024 .0025 .0005 |
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Oh6 .23019 .16600 .30036 .0162 .0226 .0139 .0127 .0035 .0037 .0006 |
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O7 .84627 .12816 .48669 .0146 .0116 .0095 .0238 .0020 .0062 .0010 |
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Oh8 .19208 .20696 .68570 .01360 .0144 .0129 .0131 .0004 .0030 .0007 |
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O9 .52307 .21540 .56576 .01119 .0104 .0113 .0118 .0013 .0044 .0006 |
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O10 .74708 .33538 .99990 .0145 .0172 .0161 .0107 .0008 .0075 .0005 |
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O11 .64136 .36964 .39136 .01223 .0138 .0143 .0089 .0017 .0029 .0016 |
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O12 .83545 .48247 .58191 .01078 .0116 .0089 .0112 .0015 .0021 .0015 |
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O13 .11403 .51184 .16863 .01025 .0113 .0091 .0101 .0016 .0037 .0007 |
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H6 .195 .045 .282 .051 |
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H8 .083 .113 .683 .045 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Dellaite |
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Armbruster T, Lazic B, Gfeller F, Galuskin E V, Galuskina I O, |
|
Savelyeva V B, Zadov A E, Pertsev N N, Dzierzanowski P |
| |
Mineralogical Magazine 75 (2011) 379-394 |
|
Chlorine content and crystal chemistry of dellaite from the Birkhin |
|
gabbro massif, Eastern Siberia, Russia |
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Note: Cl-containing dellaite |
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Locality: the Birkhin gabbro massif, Eastern Siberia, Russia |
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_database_code_amcsd 0018880 |
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6.8126 6.9416 12.9412 90.582 97.552 98.251 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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Ca1 .07780 .19575 .09934 .01086 .0097 .0107 .0124 .0006 .0037 .0020 |
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Ca2 .18816 .21087 .49388 .01389 .0081 .0124 .0200 .0005 .0018 .0070 |
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Ca3 .89386 .46554 .28978 .01003 .0061 .0169 .0068 .0006 .0007 .0014 |
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Ca4 .56112 .03221 .32089 .01060 .0140 .0101 .0070 .0009 .0016 .0009 |
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Ca5 .31574 .19225 .87654 .00886 .0090 .0102 .0075 .0001 .0029 .0017 |
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Ca6 .59179 .47259 .70343 .00864 .0078 .0128 .0059 .0029 .0016 .0020 |
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Si1 .61338 .28801 .09718 .00662 .0053 .0088 .0056 .0002 .0010 .0005 |
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Si2 .80890 .28349 .88451 .00601 .0049 .0080 .0051 .0002 .0011 .0008 |
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Si3 .71427 .29736 .50829 .00578 .0048 .0072 .0053 .0009 .0004 .0009 |
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O1 .6176 .4862 .16456 .0084 .0089 .0111 .0059 .0031 .0011 .0007 |
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O2 .3910 .1896 .05319 .0105 .0068 .0142 .0088 .0035 .0001 .0001 |
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O3 .6154 .1853 .80662 .0087 .0071 .0120 .0063 .0004 .0003 .0011 |
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O4 .7434 .1515 .17546 .0091 .0078 .0096 .0098 .0025 .0003 .0016 |
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O5 .9847 .1496 .91059 .0098 .0061 .0100 .0131 .0023 .0010 .0015 |
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Cl6 .1899 .1406 .3002 .252 .0132 |
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Oh6 .2344 .1702 .3005 .748 .0132 |
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O7 .8426 .1252 .4851 .0133 .0110 .0090 .0208 .0031 .0032 .0006 |
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Oh8 .1917 .2084 .6868 .966 .0160 .0181 .0179 .0119 .0016 .0020 .0015 |
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Cl8 .1917 .2084 .6868 .034 .0160 .0181 .0179 .0119 .0016 .0020 .0015 |
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O9 .5212 .2156 .56584 .0098 .0081 .0117 .0091 .0010 .0017 .0013 |
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O10 .7460 .3359 .99966 .0127 .0139 .0185 .0063 .0002 .0057 .0009 |
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O11 .6411 .3710 .39196 .0108 .0102 .0160 .0064 .0024 .0010 .0023 |
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O12 .8375 .4795 .58140 .0101 .0117 .0109 .0065 .0024 .0009 .0003 |
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O13 .1151 .5122 .16844 .0084 .0093 .0118 .0034 .0001 .0001 .0009 |
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H6 .238 .040 .280 .75 .05 |
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H8 .080 .111 .682 .97 .09 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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