Accuracy
hg(i)hgo (hgflac10) r
7967 Hg(I)HgO (HGFLAC10) (Geo)
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REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
PM7
Hg(I)HgO (HGFLAC10)
<Hg-Hg> <Hg-O><O-Hg-Hg> GR=CCDC
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Hg 2.50523800 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.14566300 +1 166.5875430 +1 0.0000000 +0 1 2 0
F 2.73174105 +1 153.8844951 +1 -37.6593089 +1 3 1 2
F 2.11950163 +1 90.5918760 +1 -26.7796175 +1 4 3 1
O 2.16938233 +1 66.8287125 +1 -68.4963623 +1 3 1 2
O 2.28435956 +1 179.9973341 +1 179.9809070 +1 2 1 6
C 1.26523207 +1 94.0614065 +1 -75.8975859 +1 7 2 1
C 1.53173525 +1 119.1601141 +1 -179.6866397 +1 8 7 2
O 1.24691052 +1 119.6840778 +1 179.8181413 +1 8 7 9
F 1.32833531 +1 112.2268002 +1 104.2410414 +1 9 8 7
F 1.32691412 +1 112.9912943 +1 -120.1027079 +1 9 8 11
F 1.32776616 +1 112.4488138 +1 -120.1842424 +1 9 8 12
C 1.27054077 +1 96.6584613 +1 0.4469731 +1 3 1 6
C 1.32777469 +1 37.0261900 +1 -37.3942492 +1 5 4 3
F 1.32852543 +1 106.2487088 +1 -112.5701339 +1 15 5 4