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Foshagite |
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Gard J A, Taylor H F W |
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Acta Crystallographica 13 (1960) 785-793 |
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The crystal structure of foshagite |
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Locality: Crestmore, California, USA |
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_database_code_amcsd 0009245 |
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10.32 7.36 7.04 90 106.4 90 P-1 |
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atom x y z |
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CaI .392 .625 .6 |
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CaI .392 .125 .6 |
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CaII .14 .875 .78 |
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CaII .14 .375 .78 |
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SiI .308 .125 .117 |
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SiII .167 .842 .296 |
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SiII .167 .408 .296 |
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OI .45 .125 .292 |
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OHI .45 .625 .292 |
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OII .317 .125 -.116 |
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OHII .317 .625 -.116 |
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OIII .225 .875 .525 |
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OIII .225 .375 .525 |
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OIV .01 .875 .267 |
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OIV .01 .375 .267 |
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OV .234 .944 .15 |
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OV .234 .306 .15 |
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OVI .175 .625 .267 |
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Ettringite |
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Moore A E, Taylor H F W |
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Acta Crystallographica B26 (1970) 386-393 |
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Crystal structure of ettringite |
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Locality: Scawt Hill, Northern Ireland |
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_database_code_amcsd 0009368 |
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11.26 11.26 21.48 90 90 120 P31c |
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atom x y z occ Biso |
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Al1 0 0 .000 1.2 |
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Al2 0 0 .250 1.2 |
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Ca1 .009 .816 .875 1.7 |
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Ca2 .994 .189 .125 1.8 |
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OH1 .994 .134 .948 2.2 |
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OH2 .996 .865 .057 1.0 |
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OH3 .004 .146 .805 1.6 |
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OH4 .004 .876 .198 1.0 |
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Wat5 .000 .348 .047 3.9 |
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Wat6 .010 .663 .958 1.8 |
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Wat7 .997 .345 .199 3.6 |
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Wat8 .996 .655 .788 3.1 |
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Wat9 .263 .405 .618 2.9 |
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Wat10 .744 .593 .374 4.8 |
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Wat11 .259 .406 .126 4.8 |
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Wat12 .768 .598 .870 1.7 |
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O13 1/3 2/3 .420 1.9 |
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O14 1/3 2/3 .814 7.8 |
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O15 1/3 2/3 .070 4.2 |
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O16 .195 .642 .518 4.7 |
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O17 .195 .620 .723 4.3 |
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O18 .192 .585 .982 2.1 |
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Wat19 .197 .637 .243 .56 5.4 |
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S1 1/3 2/3 .491 2.2 |
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S2 1/3 2/3 .750 1.6 |
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S3 1/3 2/3 .009 1.4 |
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Jennite |
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Bonaccorsi E, Merlino S, Taylor H F W |
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Cement and Concrete Research 34 (2004) 1481-1488 |
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The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O |
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Locality: Fuka, Japan |
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_database_code_amcsd 0012177 |
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10.576 7.265 10.931 101.30 96.98 109.65 P-1 |
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atom x y z Uiso |
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Ca1 .0601 .3632 .3648 .059 |
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Ca2 .4226 .7984 .3617 .056 |
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Ca3 .0658 .8664 .3769 .061 |
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Ca4 .4289 .2954 .3531 .061 |
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Ca5 0 .5 0 .072 |
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Si1 .8014 .942 .1939 .060 |
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Si2 .7248 .241 .3748 .063 |
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Si3 .7222 .673 .3784 .058 |
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O1 .970 .024 .246 .051 |
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OH2 .273 .962 .308 .069 |
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O3 .588 .129 .423 .047 |
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O4 .872 .318 .487 .057 |
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O5 .742 .121 .246 .068 |
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O6 .720 .747 .249 .060 |
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O7 .701 .433 .331 .071 |
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O8 .756 .859 .0409 .047 |
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O9 .581 .658 .429 .055 |
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O10 .866 .794 .480 .058 |
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OH11 .273 .458 .303 .066 |
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OH12 .985 .542 .230 .065 |
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Wat13 .443 .193 .129 .086 |
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Wat14 .542 .191 .863 .080 |
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Wat1 .914 .143 .941 .079 |
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Wat2 .781 .519 .964 .083 |
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Sjogrenite |
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Ingram L, Taylor H F W |
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Mineralogical Magazine 36 (1967) 465-479 |
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The crystal structures of sjoegrenite and pyroaurite |
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Locality: Sweden |
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_database_code_amcsd 0014446 |
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3.13 3.13 15.66 90 90 120 P6_3/mmc |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg 0 0 0 .75 .004 .004 .004 0 0 0 |
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Fe 0 0 0 .25 .004 .004 .004 0 0 0 |
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C 0 0 .25 .125 .02 .02 .02 0 0 0 |
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O1 .235 -.235 .25 .125 .052 .052 .016 .042 0 0 |
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Wat1 .235 -.235 .25 1/6 .052 .052 .016 .042 0 0 |
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O2 1/3 2/3 .0669 .012 .012 .016 0 0 0 |
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H 1/3 2/3 .114 .02 .02 .02 0 0 0 |
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|
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Pyroaurite |
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Ingram L, Taylor H F W |
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Mineralogical Magazine 36 (1967) 465-479 |
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The crystal structures of sjoegrenite and pyroaurite |
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Locality: Sweden |
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_database_code_amcsd 0014447 |
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3.13 3.13 23.49 90 90 120 R3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg 0 0 0 .75 .004 .004 .004 0 0 0 |
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Fe 0 0 0 .25 .004 .004 .004 0 0 0 |
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C 0 0 1/6 .125 .02 .02 .02 0 0 0 |
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O1 .235 -.235 1/6 .125 .052 .052 .016 .042 0 0 |
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Wat1 .235 -.235 1/6 1/6 .052 .052 .016 .042 0 0 |
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O2 2/3 1/3 -.0466 .012 .012 .016 0 0 0 |
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O3 1/3 2/3 .0446 .012 .012 .016 0 0 0 |
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H1 2/3 1/3 -.0758 .020 .020 .020 0 0 0 |
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H2 1/3 2/3 .0758 .020 .020 .020 0 0 0 |
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Kilchoanite |
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Taylor H F W |
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Mineralogical Magazine 38 (1971) 26-31 |
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The crystal structure of kilchoanite, Ca6(SiO4)(Si3O10), with |
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some comments on related phases |
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Locality: Kilchoan, Ardnamurchan, Scotland |
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_database_code_amcsd 0014452 |
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11.42 5.09 21.95 90 90 90 I2cm |
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atom x y z Biso |
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Ca1 -.0134 0 0 1.7 |
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Ca2 .2860 .003 .25 1.3 |
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Ca3 .0107 .005 .1679 1.2 |
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Ca4 .2177 .501 .1040 1.0 |
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Si1 .097 .426 .25 1.3 |
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Si2 .408 .940 .0997 1.0 |
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Si3 .240 0 0 1.4 |
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O1 .164 .297 .1919 1.2 |
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O2 -.033 .293 .25 2.1 |
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O3 .098 .759 .25 .9 |
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O4 .346 .793 .1584 1.2 |
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O5 .035 .707 .0919 1.3 |
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O6 .334 .802 .0402 2.1 |
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O7 .404 .255 .0954 .6 |
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O8 .160 .179 .0412 1.9 |
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Coalingite |
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Pastor-Rodriguez J, Taylor H F W |
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Mineralogical Magazine 38 (1971) 286-294 |
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Crystal structure of coalingite |
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Locality: New Idria serpentinite, Coalinga, California, USA |
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Note: occupancies altered to match formula |
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_database_code_amcsd 0014454 |
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3.12 3.12 37.4 90 90 120 R-3m |
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atom x y z occ Biso |
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Mg 1/3 2/3 .1047 .87 0.0 |
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Fe3+ 1/3 2/3 .1047 .10 0.0 |
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Mn 1/3 2/3 .1047 .02 0.0 |
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Fe2+ 1/3 2/3 .1047 .01 0.0 |
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OH1 0 0 .076 6.1 |
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OH2 2/3 1/3 .132 2.5 |
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C 1/3 2/3 1/3 .03 |
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Oc4 .105 .21 0 .03 3.0 |
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Wat3 .105 .21 0 .09 3.0 |
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OH4 .105 .21 0 .04 3.0 |
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|
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Killalaite |
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Taylor H F W |
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Mineralogical Magazine 41 (1977) 363-369 |
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The crystal structure of killalaite |
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Locality: Killala Bay, Ireland |
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_database_code_amcsd 0014467 |
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6.807 15.459 6.811 90 97.76 90 P2_1/m |
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atom x y z occ Biso |
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Ca1 .3314 -.0942 .9308 1.24 |
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Ca2 .7190 -.0996 .3330 1.89 |
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Ca3 .0125 .25 .3375 1.86 |
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Ca4 .9299 .25 .8332 2.08 |
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Ca5 .520 .25 .487 .43 1.2 |
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Si1 .8131 -.0874 .8374 1.00 |
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Si2 .7804 .0833 .6008 .93 |
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O1 .677 -.0587 .002 1.2 |
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O2 .690 -.1463 .662 1.9 |
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OH2 .690 -.1463 .662 .57 1.9 |
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O3 .004 -.1440 .919 1.0 |
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O4 .672 .0489 .392 2.7 |
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O5 .633 .1316 .731 1.6 |
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O6 .957 .1504 .576 1.1 |
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O7 .884 .0004 .727 2.5 |
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OH8 .280 .25 .762 3.0 |
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OH9 .660 .25 .156 2.0 |
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|
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| |
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Ettringite |
|
Moore A, Taylor H F W |
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Nature 218 (1968) 1048-1049 |
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Crystal structure of ettringite |
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Locality: Scawt Hill, Northern Ireland |
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_database_code_amcsd 0014674 |
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11.23 11.23 10.72 90 90 120 P6_3/mcm |
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atom x y z occ Uiso |
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Ca .1913 0 .25 .0214 |
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Al 0 0 0 .0122 |
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S 1/3 2/3 0 .75 .0215 |
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O1 1/3 2/3 .1436 .375 .0420 |
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O2 .4035 .8070 .0527 .375 .0685 |
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OH .1353 0 .6088 .0268 |
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Wat1 1/3 2/3 0 .25 .0215 |
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Wat2 .3420 0 .0877 .0317 |
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Wat3 .2557 .4095 .25 .0528 |
|
|
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|
| |
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