Accuracy
Sc(III)O9(3plus) (NINMIG) r
2824 Sc(III)O6(3+) (NINMIG) (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)
CHARGE=3 PM7
Sc(III)O6(3+) (NINMIG)
<Sc-O(3)> <Sc-O'(6)> <O-Sc-O> GR=CCDC
Sc 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.48557000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.17103200 +1 136.8327540 +1 0.0000000 +0 1 2 0
O 3.83436269 +1 179.9969632 +1 105.8187806 +1 1 2 3
O 2.89840419 +1 94.8719004 +1 147.3147702 +1 1 2 4
O 3.99833097 +1 102.1615176 +1 91.6882958 +1 1 2 5
O 2.33490205 +1 76.0316604 +1 100.9827381 +1 1 2 6
O 2.15517117 +1 142.1525063 +1 74.1467628 +1 1 2 7
O 2.22916149 +1 68.0230595 +1 41.9123637 +1 1 2 8
O 2.18843393 +1 67.4967010 +1 127.5015831 +1 1 2 9
H 0.97944143 +1 129.5770991 +1 -58.6332949 +1 2 1 3
H 0.98180244 +1 121.3789056 +1 -153.6547971 +1 2 1 11
H 0.99191677 +1 121.4041663 +1 -177.5984495 +1 3 1 2
H 1.02863378 +1 124.4676777 +1 151.7498873 +1 3 1 13
H 0.99074935 +1 132.1150922 +1 -25.3489419 +1 4 1 2
H 0.98759055 +1 123.2733979 +1 170.6874630 +1 4 1 15
H 0.98099945 +1 122.6758181 +1 46.3644584 +1 5 1 2
H 0.98033879 +1 131.6485782 +1 158.1091499 +1 5 1 17
H 0.98484604 +1 125.9867065 +1 72.5256406 +1 6 1 2
H 0.98457311 +1 129.4580100 +1 179.5071538 +1 6 1 19
H 0.98703994 +1 129.1273617 +1 65.4823418 +1 7 1 2
H 0.98703590 +1 125.4848712 +1 168.8856054 +1 7 1 21
H 1.07100897 +1 120.1647878 +1 179.3652416 +1 8 1 2
H 0.97721785 +1 130.0011185 +1 157.3466727 +1 8 1 23
H 0.98519136 +1 132.0467014 +1 -111.0910771 +1 9 1 2
H 1.00980500 +1 111.1358024 +1 -139.6799010 +1 9 1 25
H 1.01864020 +1 123.4958763 +1 152.5724580 +1 10 1 2
H 0.98567667 +1 124.1679139 +1 -155.0604094 +1 10 1 27