American Mineralogist Crystal Structure Database

2 matching records for this search.

Ewaldite
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Donnay G, Preston H
 
Tschermaks Mineralogische und Petrographische Mitteilungen 15 (1971) 201-212
Ewaldite, a new barium calcium carbonate II. Its crystal structure
Note: unlocated carbonate group
_database_code_amcsd 0015637
5.284 5.284 12.78 90 90 120 P6_3mc
atom    x     y    z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2) B(1,3) B(2,3)
Ba    1/3   2/3    0          .023877 .023877 .002526 .011939      0      0
Ca    1/3   2/3 .305 .48      .024116 .024116 .003658 .012058      0      0
Ce    1/3   2/3 .305 .20      .024116 .024116 .003658 .012058      0      0
Na    1/3   2/3 .305 .15      .024116 .024116 .003658 .012058      0      0
K     1/3   2/3 .305 .11      .024116 .024116 .003658 .012058      0      0
Sr    1/3   2/3 .305 .03      .024116 .024116 .003658 .012058      0      0
U     1/3   2/3 .305 .02      .024116 .024116 .003658 .012058      0      0
C       0     0 .422      2.3
O    .137 -.137 .425      2.7
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Ewaldite
Download hom/ewaldite.pdf
Voloshin A V, Subbotin V V, Yakovenchuk V N, Pakhomovsky Y A,
Men'shikov Y P, Nadezhina T N, Pushcharovsky D Y
 
Zapiski Vsesoyuznogo Mineralogicheskogo Obshchestva 1992 (1992) 56-66
New data on the ewaldite
_database_code_amcsd 0015721
5.318 5.318 12.837 90 90 120 P6_3mc
atom    x     y     z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)   B(2,3)
Ba    1/3   2/3     0          .008250 .008250 .002124 .004125       0        0
Ca    1/3   2/3 .3045          .007543 .007543 .001062 .003772       0        0
C       0     0  .427          .007190 .007190 .002124 .003654       0        0
O1   .139 -.139  .426          .007425 .007425 .005765 .009429 .000423 -.000423
O2   .292  .081  .665 .19  4.2
O3   .532  .062  .151 .12  2.6
O4   .603  .212  .277 .24  2.0
O5   .231  .466  .703 .07  4.9
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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