Accuracy
li(i)o4i (harcei) r
5853 Li(I)O4I (HARCEI) (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
Li(I)O4I (HARCEI)
<Li-I> <Li-O> <O-Li-I> GR=CCDC
Li 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.87800000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.03718500 +1 117.6057290 +1 0.0000000 +0 1 2 0
O 2.32749965 +1 96.5347062 +1 80.8612320 +1 1 2 3
C 1.41436940 +1 122.4035293 +1 -122.1544487 +1 3 1 2
C 1.42292109 +1 111.9142412 +1 -140.0022302 +1 3 1 5
C 1.42265169 +1 96.0420694 +1 -86.1372788 +1 4 1 2
C 1.41930741 +1 119.1114528 +1 120.3191053 +1 4 1 7
H 1.10207422 +1 103.8655571 +1 41.9207883 +1 5 3 1
H 1.09485512 +1 111.2544741 +1 -119.0454068 +1 5 3 9
H 1.09683554 +1 110.3360688 +1 -123.4158662 +1 5 3 10
H 1.10635280 +1 109.4422540 +1 80.2310496 +1 6 3 1
H 1.10640031 +1 109.3445132 +1 120.0276302 +1 6 3 12
H 1.11171025 +1 110.0454396 +1 61.2093708 +1 7 4 1
H 1.10620620 +1 109.8409507 +1 119.6842163 +1 7 4 14
H 1.09833117 +1 103.8314333 +1 57.7724374 +1 8 4 1
H 1.09908634 +1 112.0864435 +1 -118.1548304 +1 8 4 16
H 1.09420428 +1 109.6181478 +1 -123.5315965 +1 8 4 17
O 2.22977498 +1 120.3954680 +1 96.3673309 +1 1 2 4
O 2.33071467 +1 97.0261291 +1 78.4869953 +1 1 2 19
C 1.41354750 +1 122.4781484 +1 -125.9931701 +1 19 1 2
C 1.42133528 +1 108.4793843 +1 -135.6472636 +1 19 1 21
C 1.42322659 +1 98.2095050 +1 -89.4584779 +1 20 1 2
C 1.41968780 +1 117.9577433 +1 121.1500912 +1 20 1 23
H 1.10171757 +1 103.5615716 +1 44.1088318 +1 21 19 1
H 1.09419742 +1 111.5635884 +1 -118.7817981 +1 21 19 25
H 1.09606002 +1 110.2541171 +1 -123.5604452 +1 21 19 26
H 1.10608651 +1 109.7493708 +1 77.6954581 +1 22 19 1
H 1.10579030 +1 109.4658927 +1 120.0629889 +1 22 19 28
H 1.11125713 +1 109.8067934 +1 58.1985249 +1 23 20 1
H 1.10601610 +1 109.8457189 +1 119.7141668 +1 23 20 30
H 1.09804036 +1 104.0545150 +1 55.5748367 +1 24 20 1
H 1.09900706 +1 112.0744856 +1 -118.2440032 +1 24 20 32
H 1.09450679 +1 109.4786428 +1 -123.4412441 +1 24 20 33