Structure 2236693

2236686 << 2236693 >> 2236696
Original COD entry Download CIF Download DOT

Citation: Andrade, Marcelo B.; Morrison, Shaunna M.; Di Domizio, Adrien J.; Feinglos, Mark N.; Downs, Robert T. (2012). Robertsite, Ca~2~Mn^III^~3~O~2~(PO~4~)~3~·3H~2~O. Acta Crystallographica Section E, 68, pp. i74-i75.

Formula: Ca2 H6 Mn3 O17 P3

Chemical name: Dicalcium trimanganese dioxide tris(phosphate) trihydrate

Cell parameters:

  • a = 17.3400(9) Å
  • b = 19.4464(10) Å
  • c = 11.2787(6) Å
  • α = 90.00°
  • β = 96.634(3)°
  • γ = 90.00°

List type: interleaving

List: 2D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

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

Dimensionality: 2

Formula: Mn18 O84 P18 (Mn3 O14 P3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 11, 12, 34, 21, 56, 36, 77
  • 1, 3, 3, 12, 12, 32, 21, 57, 30, 77
  • 1, 3, 3, 12, 12, 34, 27, 56, 39, 70
  • 1, 3, 3, 12, 15, 34, 27, 53, 48, 66
  • 1, 3, 6, 24, 18, 42, 24, 71, 42, 81
  • 1, 3, 6, 25, 21, 42, 32, 66, 49, 73
  • 2, 8, 7, 20, 16, 45, 26, 66, 40, 88
  • 2, 8, 7, 20, 16, 46, 29, 65, 43, 87
  • 2, 8, 7, 21, 19, 45, 32, 62, 49, 80
  • 2, 8, 7, 21, 19, 47, 38, 59, 54, 75
  • 2, 9, 9, 21, 22, 42, 38, 57, 57, 80
  • 2, 9, 10, 20, 22, 42, 38, 57, 57, 80
  • 3, 12, 12, 33, 21, 55, 30, 80, 51, 94
  • 3, 12, 12, 33, 21, 56, 33, 77, 50, 95
  • 3, 12, 12, 34, 21, 55, 33, 78, 48, 94
  • 3, 12, 12, 36, 27, 53, 41, 71, 56, 85
  • 3, 13, 13, 35, 21, 56, 36, 77, 51, 93
  • 3, 13, 15, 34, 27, 53, 48, 66, 64, 86
  • 3, 14, 13, 33, 21, 57, 30, 77, 51, 96
  • 3, 14, 13, 35, 27, 56, 39, 70, 64, 85
  • 3, 14, 16, 35, 27, 53, 48, 66, 64, 85
  • 4, 3, 11, 12, 34, 21, 56, 36, 77, 51
  • 4, 3, 12, 12, 32, 21, 57, 30, 77, 51
  • 4, 3, 12, 12, 34, 27, 56, 39, 70, 64
  • 4, 3, 12, 15, 34, 27, 53, 48, 66, 64
  • 4, 6, 24, 18, 42, 24, 71, 42, 81, 58
  • 4, 6, 25, 21, 42, 32, 66, 49, 73, 68
  • 6, 8, 23, 16, 45, 26, 66, 40, 88, 56
  • 6, 8, 23, 16, 46, 29, 65, 43, 87, 68
  • 6, 8, 24, 19, 45, 32, 62, 49, 80, 65
  • 6, 8, 24, 19, 47, 38, 59, 54, 75, 78
  • 7, 11, 23, 22, 42, 38, 57, 57, 80, 71
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

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

Dimensionality: 2

Formula: Mn18 O84 P18 (Mn3 O14 P3)

Multiplicity: 1

Coordination sequences:

  • 1, 3, 3, 11, 12, 34, 21, 56, 36, 77
  • 1, 3, 3, 12, 12, 32, 21, 57, 30, 77
  • 1, 3, 3, 12, 12, 34, 27, 56, 39, 70
  • 1, 3, 3, 12, 15, 34, 27, 53, 48, 66
  • 1, 3, 6, 24, 18, 42, 24, 71, 42, 81
  • 1, 3, 6, 25, 21, 42, 32, 66, 49, 73
  • 2, 8, 7, 20, 16, 45, 26, 66, 40, 88
  • 2, 8, 7, 20, 16, 46, 29, 65, 43, 87
  • 2, 8, 7, 21, 19, 45, 32, 62, 49, 80
  • 2, 8, 7, 21, 19, 47, 38, 59, 54, 75
  • 2, 9, 9, 21, 22, 42, 38, 57, 57, 80
  • 2, 9, 10, 20, 22, 42, 38, 57, 57, 80
  • 3, 12, 12, 33, 21, 55, 30, 80, 51, 94
  • 3, 12, 12, 33, 21, 56, 33, 77, 50, 95
  • 3, 12, 12, 34, 21, 55, 33, 78, 48, 94
  • 3, 12, 12, 36, 27, 53, 41, 71, 56, 85
  • 3, 13, 13, 35, 21, 56, 36, 77, 51, 93
  • 3, 13, 15, 34, 27, 53, 48, 66, 64, 86
  • 3, 14, 13, 33, 21, 57, 30, 77, 51, 96
  • 3, 14, 13, 35, 27, 56, 39, 70, 64, 85
  • 3, 14, 16, 35, 27, 53, 48, 66, 64, 85
  • 4, 3, 11, 12, 34, 21, 56, 36, 77, 51
  • 4, 3, 12, 12, 32, 21, 57, 30, 77, 51
  • 4, 3, 12, 12, 34, 27, 56, 39, 70, 64
  • 4, 3, 12, 15, 34, 27, 53, 48, 66, 64
  • 4, 6, 24, 18, 42, 24, 71, 42, 81, 58
  • 4, 6, 25, 21, 42, 32, 66, 49, 73, 68
  • 6, 8, 23, 16, 45, 26, 66, 40, 88, 56
  • 6, 8, 23, 16, 46, 29, 65, 43, 87, 68
  • 6, 8, 24, 19, 45, 32, 62, 49, 80, 65
  • 6, 8, 24, 19, 47, 38, 59, 54, 75, 78
  • 7, 11, 23, 22, 42, 38, 57, 57, 80, 71
span 1 {1 1 1}