American Mineralogist Crystal Structure Database

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Kalicinite
Download hom/kalicinite.pdf
Kagi H, Nagai T, Loveday J S, Wada C, Parise J B
American Mineralogist 88 (2003) 1446-1451
Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa
and local structural changes around hydrogen atoms
Sample: at P = 2.5 GPa
_database_code_amcsd 0003176
14.379 5.494 3.609 90 101.64 90 P2_1/a
atom    x     y     z
K1   .162  .021  .298
C1   .121  .541 -.104
D1   .014  .707 -.425
O1   .195  .532  .123
O2   .079  .728 -.301
O3   .083  .329 -.239
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