Poldervaartite
Dai Y S, Harlow G E, McGhie A R
American Mineralogist 78 (1993) 1082-1087
Poldervaartite, Ca(Ca0.5Mn0.5)(SiO3OH)(OH), a new acid nesosilicate from the
Kalahari manganese field, South Africa: Crystal structure and description
_database_code_amcsd 0001615
9.398 9.139 10.535 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)
Ca1 .15406 .49326 .39021 .0090 .0101 .0084 -.0004 .0007 .0003
Ca2 .51266 .33390 .43048 .67 .0101 .0104 .0098 -.0022 -.0003 -.0004
Mn .51266 .33390 .43048 .33 .0101 .0104 .0098 -.0022 -.0003 -.0004
Si .32973 .21515 .65939 .0076 .0075 .0069 .0002 -.0002 -.0004
Oh1 .2518 .3502 .5735 .028 .0104 .0140 .0046 -.0084 -.0005
O2 -.0559 .3590 .4368 .0092 .0145 .0117 -.0019 -.0002 -.0042
O3 .1020 .7101 .2829 .0160 .0134 .0087 .0022 .0045 .0043
Oh4 .3965 .5492 .3980 .0118 .019 .016 -.0012 -.0002 .0063
O5 .2019 .3986 .1893 .0146 .0145 .0129 .0044 .0018 -.0016
H1 .257 .074 .117 .03
H2 -.084 .588 .173 .03
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Poldervaartite
Heller L
Acta Crystallographica 5 (1952) 724-728
The structure of dicalcium silicate alpha-hydrate
Locality: synthetic Ca2SiO3OHOH
_database_code_amcsd 0009148
9.34 9.22 10.61 90 90 90 Pbca
atom x y z
Ca1 .452 .640 .754
Ca2 .385 .022 .430
Si1 .754 .304 .975
O1 .439 .358 .662
O2 .595 .336 .928
O3 .809 .174 .886
O4 .865 .434 .966
O5 .739 .271 .124
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Poldervaartite
Yano T, Urabe K, Ikawa H, Teraushi T, Ishizawa N, Udagawa S
Acta Crystallographica C49 (1993) 1555-1559
Structure of alpha-dicalcium silicate hydrate
Note: Structure revised in Marsh (1994)
_database_code_amcsd 0010286
9.487 9.179 10.666 90 90 90 P2_12_12_1
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 .4808 .1703 .0660 .0057 .0075 .0066 -.0028 -.0027 .0024
Ca2 .5120 .8312 .9286 .0106 .0111 .0086 -.0016 -.0027 -.0015
Ca3 .3471 .0066 .3886 .0031 .0018 .0022 .0019 .0017 .0029
Ca4 .6563 .9953 .6107 .0133 .0169 .0169 -.0035 -.0040 -.0046
Si1 .1687 .2095 .1639 .0057 .0069 .0053 -.0001 -.0033 -.0009
Si2 .8306 .7838 .8440 .0078 .0052 .0053 -.0006 .0028 .0026
O1 .0619 .1324 .0656 .0096
O2 .9498 .8563 .9343 .0039
O3 .2432 .3487 .0735 .0135
O4 .7458 .6572 .9264 .0077
O5 .2981 .1044 .1950 .0145
O6 .7065 .9041 .8132 .0067
O7 .1099 .2900 .2812 .0070
O8 .9069 .7060 .7218 .0078
O9 .3946 .4492 .3912 .0118
O10 .6067 .5458 .6009 .0062
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Poldervaartite
Marsh R E
Acta Crystallographica C50 (1994) 996-997
A revised structure for alpha-dicalcium silicate hydrate
Locality: synthetic Ca2SiO3OHOH
_database_code_amcsd 0010292
9.487 9.179 10.666 90 90 90 Pbca
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1 .48415 .16956 .06863 0 .0092 .0086 .0079 -.0027 -.0014 .0002
Ca2 .34570 .00578 .38878 0 .0077 .0081 .0078 -.0003 -.0003 .0004
Si1 .16927 .21286 .15970 0 .0067 .0071 .0063 -.0004 -.0002 -.0001
O1 .05605 .13832 .06504 0 .0084 .0089 .0082 -.0017 -.0008 -.0009
O2 .24927 .34579 .07281 0 .0169 .0088 .0109 -.0012 .0039 .0003
O3 .29582 .09944 .19042 0 .0098 .0100 .0120 .0021 -.0018 .0009
O4 .10182 .29231 .27970 0 .0141 .0101 .0066 -.0020 .0021 .0005
O5 .39398 .45254 .39616 0 .0090 .0092 .0110 .0012 -.0006 .0006
H1 .238 .438 .110 .047
H2 .406 .413 .339 .062
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