American Mineralogist Crystal Structure Database

1 matching records for this search.

Cu(HCOO)2*4H2O
 
Okada K, Kay M I, Cromer D T, Almodovar I
 
Journal of Chemical Physics 44 (1966) 1648-1653
Crystal structure by neutron diffraction and the antiferroelectric phase
transition in copper formate tetrahydrate
_database_code_amcsd 0012979
8.15 8.18 6.35 90 101.083 90 P2_1/a
atom   x     y     z occ Biso
Cu     0     0     0     1.02
C   .237  .269  .024     1.04
OF1 .205 -.092 -.080     1.27
OF2 .116  .213  .088     1.34
Ow1 .430  .401  .641     1.94
Ow2 .089  .357  .482     2.59
HF  .207  .692  .071      4.2
H1  .311  .385  .592 .75  3.3
H2  .481  .296  .592 .75  3.6
H3  .473  .462  .518  .5  3.9
H4  .084  .320  .339      3.7
H5  .029  .475  .480  .5  4.7
H6  .195  .431  .585 .25  3.7
H7  .040  .269  .533 .25  0.9
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