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Structure 2109020

2109008 << 2109020 >> 2109021

Citation: Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. (2022). Role of lone-pair electron localization in temperature-induced phase transitions in mimetite. Acta Crystallographica Section B, 78, pp. -.

Formula: As4 Cl1.33 O16 Pb6.67

Cell parameters:

a = 20.4487(9) Å
b = 7.4362(2) Å
c = 20.4513(9) Å

α = 90°
β = 119.953(6)°
γ = 90°

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: As24 O96 Pb40 (As3 O12 Pb5)

Multiplicity: 1

Coordination sequences:

1, 3, 4, 6, 7, 19, 19, 33, 31, 68
1, 3, 4, 8, 9, 21, 20, 34, 35, 82
1, 3, 4, 8, 9, 25, 26, 35, 28, 69
2, 2, 6, 8, 14, 18, 41, 30, 45, 42
2, 3, 7, 6, 12, 12, 32, 31, 45, 42
2, 3, 7, 8, 17, 19, 41, 33, 54, 54
2, 3, 8, 7, 13, 15, 29, 27, 50, 45
2, 4, 5, 9, 8, 21, 22, 33, 31, 73
2, 4, 5, 10, 13, 28, 26, 42, 34, 74
2, 4, 6, 11, 13, 28, 25, 46, 40, 79
2, 5, 5, 10, 13, 26, 25, 54, 49, 82
2, 5, 5, 11, 13, 24, 22, 46, 43, 86
2, 5, 5, 11, 13, 25, 24, 47, 43, 85
2, 5, 5, 11, 13, 25, 25, 50, 47, 90
2, 5, 5, 12, 15, 31, 31, 52, 38, 75
2, 5, 6, 11, 11, 22, 22, 40, 37, 78
2, 5, 6, 11, 12, 24, 25, 48, 40, 83
2, 5, 6, 12, 11, 23, 24, 48, 43, 82
2, 5, 6, 12, 11, 23, 25, 47, 39, 73
2, 5, 6, 12, 12, 24, 24, 45, 38, 72
2, 5, 6, 12, 12, 26, 26, 48, 44, 92
2, 5, 6, 12, 12, 27, 28, 50, 45, 88
2, 5, 6, 12, 13, 25, 23, 45, 40, 79
2, 5, 6, 12, 13, 27, 23, 45, 47, 92
2, 5, 6, 12, 13, 27, 26, 51, 46, 90
2, 5, 6, 12, 13, 30, 32, 57, 48, 95
2, 5, 6, 12, 14, 29, 27, 54, 51, 94
2, 5, 6, 12, 14, 32, 28, 50, 44, 74
2, 5, 6, 13, 14, 24, 27, 53, 39, 77
2, 5, 6, 13, 14, 29, 30, 60, 50, 85
2, 5, 6, 13, 15, 29, 27, 51, 44, 81
2, 5, 6, 13, 15, 30, 32, 66, 51, 93
2, 5, 6, 14, 14, 27, 27, 51, 46, 95
2, 5, 6, 14, 14, 28, 27, 44, 41, 80
2, 5, 7, 14, 13, 29, 28, 46, 43, 90
2, 5, 7, 14, 14, 27, 23, 42, 39, 85
2, 5, 7, 14, 14, 30, 28, 54, 51, 91
2, 5, 7, 14, 17, 33, 27, 44, 40, 86
2, 5, 7, 15, 15, 33, 33, 55, 52, 108
2, 5, 8, 16, 15, 27, 23, 44, 45, 94
3, 3, 9, 10, 14, 14, 36, 34, 57, 47
3, 3, 9, 10, 15, 15, 38, 35, 59, 56
3, 3, 9, 10, 15, 16, 42, 37, 54, 48
3, 3, 9, 10, 17, 19, 44, 41, 64, 54
3, 3, 9, 11, 17, 19, 50, 44, 70, 60
3, 3, 9, 11, 19, 20, 52, 42, 55, 48
3, 4, 9, 8, 15, 14, 38, 36, 50, 47
3, 4, 9, 10, 20, 20, 45, 36, 56, 61
3, 4, 10, 12, 23, 19, 48, 49, 72, 65
3, 4, 11, 11, 19, 18, 40, 36, 55, 50
3, 4, 11, 12, 20, 17, 39, 39, 57, 53
3, 4, 11, 12, 21, 20, 48, 44, 70, 66
3, 4, 11, 13, 20, 20, 44, 37, 63, 55
3, 4, 11, 13, 21, 17, 35, 33, 60, 55
3, 5, 4, 10, 10, 22, 23, 44, 39, 74
3, 5, 5, 12, 11, 27, 25, 40, 39, 78
3, 5, 5, 12, 14, 32, 28, 48, 44, 88
3, 5, 6, 14, 15, 29, 25, 51, 46, 85
3, 5, 12, 10, 20, 21, 47, 49, 81, 69
3, 6, 7, 16, 16, 35, 34, 64, 62, 107
3, 6, 7, 17, 14, 30, 33, 61, 58, 107
3, 7, 6, 16, 18, 29, 25, 50, 44, 81
3, 7, 7, 13, 14, 25, 24, 50, 44, 85
3, 7, 7, 16, 15, 28, 31, 67, 59, 97
3, 7, 8, 16, 14, 25, 25, 50, 50, 89
3, 7, 9, 18, 15, 27, 28, 54, 50, 92
3, 8, 10, 16, 14, 27, 28, 59, 52, 89
4, 4, 6, 7, 19, 19, 33, 31, 68, 59
4, 4, 8, 9, 21, 20, 34, 35, 82, 71
4, 4, 8, 9, 21, 21, 34, 31, 79, 72
4, 4, 8, 9, 25, 26, 35, 28, 69, 62
4, 5, 8, 8, 21, 20, 29, 27, 66, 62
4, 5, 8, 9, 25, 22, 34, 30, 69, 64
4, 5, 8, 9, 26, 23, 35, 36, 81, 71
4, 5, 9, 9, 21, 23, 38, 32, 76, 69
4, 5, 9, 9, 24, 24, 40, 39, 87, 77
4, 5, 9, 10, 27, 28, 47, 43, 92, 78
4, 5, 9, 11, 26, 24, 36, 31, 70, 67
4, 6, 10, 11, 24, 20, 35, 35, 80, 68
4, 7, 14, 12, 19, 17, 40, 43, 73, 59

span 1 {1 1 1}

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