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Poldervaartite |
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Dai Y S, Harlow G E, McGhie A R |
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American Mineralogist 78 (1993) 1082-1087 |
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Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the |
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Kalahari manganese field, South Africa: Crystal structure and description |
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_database_code_amcsd 0001615 |
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9.398 9.139 10.535 90 90 90 Pbca |
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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 .15406 .49326 .39021 .0090 .0101 .0084 -.0004 .0007 .0003 |
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Ca2 .51266 .33390 .43048 .67 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
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Mn .51266 .33390 .43048 .33 .0101 .0104 .0098 -.0022 -.0003 -.0004 |
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Si .32973 .21515 .65939 .0076 .0075 .0069 .0002 -.0002 -.0004 |
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Oh1 .2518 .3502 .5735 .028 .0104 .0140 .0046 -.0084 -.0005 |
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O2 -.0559 .3590 .4368 .0092 .0145 .0117 -.0019 -.0002 -.0042 |
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O3 .1020 .7101 .2829 .0160 .0134 .0087 .0022 .0045 .0043 |
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Oh4 .3965 .5492 .3980 .0118 .019 .016 -.0012 -.0002 .0063 |
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O5 .2019 .3986 .1893 .0146 .0145 .0129 .0044 .0018 -.0016 |
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H1 .257 .074 .117 .03 |
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H2 -.084 .588 .173 .03 |
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Poldervaartite |
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Heller L |
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Acta Crystallographica 5 (1952) 724-728 |
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The structure of dicalcium silicate alpha-hydrate |
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Locality: synthetic Ca2SiO3OHOH |
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_database_code_amcsd 0009148 |
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9.34 9.22 10.61 90 90 90 Pbca |
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atom x y z |
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Ca1 .452 .640 .754 |
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Ca2 .385 .022 .430 |
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Si1 .754 .304 .975 |
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O1 .439 .358 .662 |
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O2 .595 .336 .928 |
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O3 .809 .174 .886 |
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O4 .865 .434 .966 |
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O5 .739 .271 .124 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Poldervaartite |
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Yano T, Urabe K, Ikawa H, Teraushi T, Ishizawa N, Udagawa S |
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Acta Crystallographica C49 (1993) 1555-1559 |
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Structure of alpha-dicalcium silicate hydrate |
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Note: Structure revised in Marsh (1994) |
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_database_code_amcsd 0010286 |
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9.487 9.179 10.666 90 90 90 P2_12_12_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 .4808 .1703 .0660 .0057 .0075 .0066 -.0028 -.0027 .0024 |
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Ca2 .5120 .8312 .9286 .0106 .0111 .0086 -.0016 -.0027 -.0015 |
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Ca3 .3471 .0066 .3886 .0031 .0018 .0022 .0019 .0017 .0029 |
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Ca4 .6563 .9953 .6107 .0133 .0169 .0169 -.0035 -.0040 -.0046 |
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Si1 .1687 .2095 .1639 .0057 .0069 .0053 -.0001 -.0033 -.0009 |
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Si2 .8306 .7838 .8440 .0078 .0052 .0053 -.0006 .0028 .0026 |
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O1 .0619 .1324 .0656 .0096 |
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O2 .9498 .8563 .9343 .0039 |
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O3 .2432 .3487 .0735 .0135 |
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O4 .7458 .6572 .9264 .0077 |
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O5 .2981 .1044 .1950 .0145 |
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O6 .7065 .9041 .8132 .0067 |
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O7 .1099 .2900 .2812 .0070 |
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O8 .9069 .7060 .7218 .0078 |
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O9 .3946 .4492 .3912 .0118 |
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O10 .6067 .5458 .6009 .0062 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
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Poldervaartite |
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Marsh R E |
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Acta Crystallographica C50 (1994) 996-997 |
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A revised structure for alpha-dicalcium silicate hydrate |
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Locality: synthetic Ca2SiO3OHOH |
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_database_code_amcsd 0010292 |
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9.487 9.179 10.666 90 90 90 Pbca |
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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 .48415 .16956 .06863 0 .0092 .0086 .0079 -.0027 -.0014 .0002 |
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Ca2 .34570 .00578 .38878 0 .0077 .0081 .0078 -.0003 -.0003 .0004 |
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Si1 .16927 .21286 .15970 0 .0067 .0071 .0063 -.0004 -.0002 -.0001 |
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O1 .05605 .13832 .06504 0 .0084 .0089 .0082 -.0017 -.0008 -.0009 |
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O2 .24927 .34579 .07281 0 .0169 .0088 .0109 -.0012 .0039 .0003 |
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O3 .29582 .09944 .19042 0 .0098 .0100 .0120 .0021 -.0018 .0009 |
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O4 .10182 .29231 .27970 0 .0141 .0101 .0066 -.0020 .0021 .0005 |
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O5 .39398 .45254 .39616 0 .0090 .0092 .0110 .0012 -.0006 .0006 |
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H1 .238 .438 .110 .047 |
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H2 .406 .413 .339 .062 |
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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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