Polymer Viewer

Structure 4314759

4314752 << 4314759 >> 4314760

Citation: Ru Kang Li; Peng Chen (2010). Cation Coordination Control of Anionic Group Alignment to Maximize SHG Effects in the BaMBO3F (M = Zn, Mg) Series. Inorganic Chemistry, 49, pp. 1561-1565.

Formula: B12 Ba12 F12 Mg12 O36

Chemical name: ?

Cell parameters:

a = 17.614(3) Å
b = 30.546(6) Å
c = 8.0604(16) Å

α = 90.00°
β = 90.008(2)°
γ = 90.00°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 1

Basis: (1;0;0 0;1;0 0;0;1)

Dimensionality: 3

Formula: B48 F48 Mg48 O144 (B F Mg O3)

Multiplicity: 1

Coordination sequences:

1, 2, 2, 8, 8, 24, 21, 60, 41, 100
1, 4, 4, 9, 9, 28, 21, 59, 44, 119
2, 5, 5, 16, 14, 38, 28, 74, 56, 145
2, 5, 5, 16, 15, 40, 29, 81, 59, 146
2, 5, 5, 16, 15, 42, 31, 84, 58, 143
2, 5, 5, 18, 17, 41, 32, 88, 60, 143
2, 5, 5, 18, 18, 45, 35, 93, 62, 148
2, 6, 5, 14, 14, 38, 28, 79, 56, 136
2, 6, 5, 14, 14, 40, 31, 82, 56, 142
2, 6, 5, 15, 15, 41, 31, 86, 58, 142
2, 6, 5, 16, 16, 44, 33, 88, 58, 136
2, 6, 5, 16, 16, 45, 33, 83, 58, 142
2, 6, 6, 17, 17, 47, 35, 92, 58, 137
2, 6, 6, 18, 18, 49, 37, 95, 61, 145
2, 6, 6, 18, 18, 53, 40, 96, 59, 145
2, 6, 6, 19, 18, 47, 32, 84, 57, 139
2, 6, 6, 19, 18, 47, 34, 84, 56, 142
2, 6, 6, 19, 18, 48, 35, 92, 60, 144
2, 6, 6, 19, 19, 48, 32, 84, 59, 144
2, 6, 6, 19, 19, 51, 35, 91, 60, 145
2, 6, 6, 19, 19, 52, 37, 90, 60, 147
2, 6, 6, 19, 19, 52, 38, 93, 60, 149
2, 6, 6, 20, 18, 47, 35, 90, 60, 146
2, 6, 6, 20, 19, 48, 35, 93, 64, 150
2, 6, 6, 20, 19, 49, 37, 98, 62, 144
2, 6, 6, 20, 19, 50, 35, 89, 60, 147
2, 6, 6, 20, 20, 52, 35, 87, 61, 152
2, 6, 6, 20, 20, 52, 37, 92, 59, 142
2, 6, 6, 20, 20, 52, 38, 98, 62, 146
2, 6, 6, 20, 20, 53, 37, 92, 61, 147
2, 6, 6, 20, 20, 53, 37, 93, 61, 142
2, 6, 6, 20, 20, 53, 37, 93, 61, 143
2, 6, 6, 20, 20, 53, 38, 95, 60, 144
2, 6, 6, 20, 20, 54, 37, 89, 59, 146
2, 6, 6, 20, 20, 54, 38, 92, 58, 139
2, 6, 6, 20, 20, 54, 38, 93, 61, 150
2, 6, 6, 20, 20, 54, 38, 93, 62, 152
2, 7, 6, 12, 12, 41, 30, 77, 58, 153
2, 7, 7, 17, 17, 52, 37, 90, 61, 155
2, 7, 7, 17, 17, 53, 37, 88, 61, 155
2, 8, 8, 20, 19, 57, 38, 88, 62, 162
2, 8, 8, 20, 19, 58, 38, 86, 62, 161
2, 8, 8, 20, 19, 58, 38, 88, 62, 161
2, 8, 8, 20, 19, 59, 38, 86, 62, 161
2, 8, 8, 20, 20, 59, 36, 80, 58, 154
2, 8, 8, 20, 20, 61, 37, 83, 59, 152
2, 8, 8, 20, 20, 61, 37, 83, 59, 153
2, 8, 8, 20, 20, 61, 38, 86, 60, 154
3, 2, 8, 8, 24, 21, 60, 41, 100, 67
3, 3, 11, 10, 27, 21, 58, 40, 103, 73
3, 3, 11, 10, 29, 24, 64, 43, 108, 73
3, 3, 11, 11, 30, 23, 65, 44, 110, 73
3, 3, 11, 11, 32, 25, 70, 45, 110, 74
3, 3, 11, 11, 34, 28, 75, 48, 116, 77
3, 3, 12, 11, 31, 25, 69, 45, 111, 74
3, 3, 12, 12, 34, 26, 72, 49, 120, 77
3, 3, 12, 12, 34, 29, 81, 50, 116, 77
3, 3, 12, 12, 36, 28, 76, 49, 116, 75
3, 3, 12, 12, 36, 29, 79, 49, 113, 74
3, 3, 12, 12, 36, 29, 79, 49, 115, 75
4, 4, 10, 9, 30, 21, 54, 44, 123, 73
4, 4, 12, 12, 34, 25, 68, 49, 125, 77
5, 4, 9, 9, 28, 21, 59, 44, 119, 73
5, 5, 12, 12, 39, 29, 74, 49, 122, 75
5, 5, 14, 13, 39, 28, 73, 50, 128, 77
5, 5, 14, 13, 40, 28, 69, 50, 129, 77
5, 5, 14, 14, 42, 28, 67, 47, 122, 75
5, 5, 14, 14, 42, 29, 73, 50, 128, 77
5, 5, 14, 14, 43, 28, 69, 49, 123, 75
5, 5, 14, 14, 43, 29, 71, 49, 125, 75
5, 5, 14, 14, 44, 29, 69, 47, 120, 76
5, 5, 14, 14, 44, 29, 70, 50, 129, 77

span 1 {1 1 1}

highlight edges