CrystEngComm
8 (2006) 364-371
B. Civalleri, F. Napoli, Y. Noel, C. Roetti and R. Dovesi.
Ab initio prediction of materials properties with CRYSTAL: MOF-5 as a case study
Vibrations
Animation
Vectors
View
Entire Cell
Few atoms
Cell
Perspective
Along
Polyhedra
None
Transp.
Solid
Show Hydrogen
Atoms size
Tiny
Small
Big
Bond width
Thin
Thick
9.1 (BG)
19.5 (F2U)
19.5 (F2U)
19.5 (F2U)
30.9 (F1G)
30.9 (F1G)
30.9 (F1G)
33.7 (F2U)
33.7 (F2U)
33.7 (F2U)
43.4 (EG)
43.4 (EG)
51.8 (F1U)
51.8 (F1U)
51.8 (F1U)
56.2 (AU)
62.4 (F1G)
62.4 (F1G)
62.4 (F1G)
70.9 (EU)
70.9 (EU)
74.7 (BG)
82.8 (F1G)
82.8 (F1G)
82.8 (F1G)
86.8 (F2G)
86.8 (F2G)
86.8 (F2G)
97.1 (F2U)
97.1 (F2U)
97.1 (F2U)
110.4 (F2G)
110.4 (F2G)
110.4 (F2G)
113.9 (F1U)
113.9 (F1U)
113.9 (F1U)
125.2 (F1G)
125.2 (F1G)
125.2 (F1G)
125.4 (EG)
125.4 (EG)
136.2 (F1U)
136.2 (F1U)
136.2 (F1U)
138.0 (F2U)
138.0 (F2U)
138.0 (F2U)
150.9 (EU)
150.9 (EU)
152.2 (F2G)
152.2 (F2G)
152.2 (F2G)
160.1 (F1G)
160.1 (F1G)
160.1 (F1G)
160.2 (F2U)
160.2 (F2U)
160.2 (F2U)
178.3 (F1U)
178.3 (F1U)
178.3 (F1U)
184.2 (F2G)
184.2 (F2G)
184.2 (F2G)
192.7 (EG)
192.7 (EG)
198.2 (BU)
252.7 (AG)
262.8 (F1U)
262.8 (F1U)
262.8 (F1U)
267.9 (F1G)
267.9 (F1G)
267.9 (F1G)
269.0 (F2U)
269.0 (F2U)
269.0 (F2U)
278.8 (F2G)
278.8 (F2G)
278.8 (F2G)
286.7 (F1U)
286.7 (F1U)
286.7 (F1U)
292.7 (EU)
292.7 (EU)
295.1 (BU)
368.6 (F2G)
368.6 (F2G)
368.6 (F2G)
371.0 (F1G)
371.0 (F1G)
371.0 (F1G)
421.2 (AU)
421.5 (F2U)
421.5 (F2U)
421.5 (F2U)
421.6 (EU)
421.6 (EU)
467.4 (F2G)
467.4 (F2G)
467.4 (F2G)
470.7 (AG)
471.5 (EG)
471.5 (EG)
476.7 (F2U)
476.7 (F2U)
476.7 (F2U)
478.1 (F1U)
478.1 (F1U)
478.1 (F1U)
511.7 (F1U)
511.7 (F1U)
511.7 (F1U)
522.5 (F2G)
522.5 (F2G)
522.5 (F2G)
575.7 (EU)
575.7 (EU)
579.4 (F1U)
579.4 (F1U)
579.4 (F1U)
586.2 (BU)
597.9 (F2U)
597.9 (F2U)
597.9 (F2U)
606.1 (F1U)
606.1 (F1U)
606.1 (F1U)
623.5 (F1G)
623.5 (F1G)
623.5 (F1G)
631.0 (F2G)
631.0 (F2G)
631.0 (F2G)
648.6 (F1G)
648.6 (F1G)
648.6 (F1G)
649.0 (F2G)
649.0 (F2G)
649.0 (F2G)
691.5 (F1G)
691.5 (F1G)
691.5 (F1G)
692.9 (F2G)
692.9 (F2G)
692.9 (F2G)
713.7 (EG)
713.7 (EG)
715.4 (F2G)
715.4 (F2G)
715.4 (F2G)
722.3 (AG)
744.8 (F2U)
744.8 (F2U)
744.8 (F2U)
748.7 (F1U)
748.7 (F1U)
748.7 (F1U)
817.6 (F1G)
817.6 (F1G)
817.6 (F1G)
819.4 (F2G)
819.4 (F2G)
819.4 (F2G)
827.2 (EU)
827.2 (EU)
830.0 (F1U)
830.0 (F1U)
830.0 (F1U)
838.2 (BU)
868.0 (BG)
868.8 (F1G)
868.8 (F1G)
868.8 (F1G)
869.6 (EG)
869.6 (EG)
872.8 (EG)
872.8 (EG)
874.7 (F2G)
874.7 (F2G)
874.7 (F2G)
877.8 (AG)
901.2 (F2U)
901.2 (F2U)
901.2 (F2U)
901.8 (F1U)
901.8 (F1U)
901.8 (F1U)
995.0 (AU)
995.3 (F2U)
995.3 (F2U)
995.3 (F2U)
995.5 (EU)
995.5 (EU)
1004.1 (F1G)
1004.1 (F1G)
1004.1 (F1G)
1004.4 (F2G)
1004.4 (F2G)
1004.4 (F2G)
1039.6 (EU)
1039.6 (EU)
1040.0 (F1U)
1040.0 (F1U)
1040.0 (F1U)
1041.1 (BU)
1140.1 (F2U)
1140.1 (F2U)
1140.1 (F2U)
1140.5 (F1U)
1140.5 (F1U)
1140.5 (F1U)
1170.1 (EG)
1170.1 (EG)
1170.7 (F2G)
1170.7 (F2G)
1170.7 (F2G)
1171.5 (AG)
1180.2 (EU)
1180.2 (EU)
1180.8 (F1U)
1180.8 (F1U)
1180.8 (F1U)
1182.1 (BU)
1212.4 (EG)
1212.4 (EG)
1212.8 (F2G)
1212.8 (F2G)
1212.8 (F2G)
1215.3 (AG)
1336.6 (F1G)
1336.6 (F1G)
1336.6 (F1G)
1337.1 (F2G)
1337.1 (F2G)
1337.1 (F2G)
1371.8 (F2U)
1371.8 (F2U)
1371.8 (F2U)
1372.3 (F1U)
1372.3 (F1U)
1372.3 (F1U)
1415.7 (EU)
1415.7 (EU)
1421.3 (F1U)
1421.3 (F1U)
1421.3 (F1U)
1444.4 (F2U)
1444.4 (F2U)
1444.4 (F2U)
1446.4 (F1U)
1446.4 (F1U)
1446.4 (F1U)
1463.1 (BU)
1463.4 (EG)
1463.4 (EG)
1465.2 (F2G)
1465.2 (F2G)
1465.2 (F2G)
1477.9 (AG)
1549.8 (EU)
1549.8 (EU)
1549.8 (F1U)
1549.8 (F1U)
1549.8 (F1U)
1551.6 (BU)
1567.7 (F1G)
1567.7 (F1G)
1567.7 (F1G)
1587.6 (F2U)
1587.6 (F2U)
1587.6 (F2U)
1604.8 (F2G)
1604.8 (F2G)
1604.8 (F2G)
1642.7 (F1G)
1642.7 (F1G)
1642.7 (F1G)
1648.6 (F1U)
1648.6 (F1U)
1648.6 (F1U)
1669.5 (F2G)
1669.5 (F2G)
1669.5 (F2G)
1669.8 (EG)
1669.8 (EG)
1670.8 (AG)
1670.8 (F2G)
1670.8 (F2G)
1670.8 (F2G)
3230.3 (F1U)
3230.3 (F1U)
3230.3 (F1U)
3230.3 (EU)
3230.3 (EU)
3230.4 (BU)
3230.9 (F2G)
3230.9 (F2G)
3230.9 (F2G)
3231.0 (F1G)
3231.0 (F1G)
3231.0 (F1G)
3242.8 (F1U)
3242.8 (F1U)
3242.8 (F1U)
3243.0 (F2U)
3243.0 (F2U)
3243.0 (F2U)
3243.8 (AG)
3244.6 (EG)
3244.6 (EG)
3244.8 (F2G)
3244.8 (F2G)
3244.8 (F2G)
Zn
C
O
H