Structure 1570776

1570775 << 1570776 >> 1570777
Original COD entry Download CIF Download DOT

Citation: Nishiyasu, W.; Kyono, A. (2023). Crystal structures of anhydrous borax alpha-Na2B4O7 and gamma-Na2B4O7 and ab initio quantum chemical calculations of structural stability on their fundamental building blocks. Journal of Mineralogical and Petrological Sciences, 118:010, pp. 1-10.

Formula: B4 Na2 O7

Cell parameters:

  • a = 6.7123(11) Å
  • b = 9.6052(17) Å
  • c = 13.270(2) Å
  • α = 104.183(4)°
  • β = 91.560(4)°
  • γ = 106.501(4)°

List type: noninterleaving

List: 3D

Combined 3D structure and graph

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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: B24 O42 (B4 O7)

Multiplicity: 1

Coordination sequences:

  • 2, 4, 3, 8, 8, 19, 17, 38, 31, 69
  • 2, 5, 4, 8, 7, 18, 17, 40, 35, 76
  • 2, 5, 4, 8, 7, 19, 19, 42, 33, 70
  • 2, 5, 4, 8, 7, 19, 19, 42, 34, 71
  • 2, 5, 4, 10, 10, 22, 20, 45, 35, 74
  • 2, 5, 5, 11, 9, 20, 18, 45, 40, 82
  • 2, 5, 5, 12, 11, 25, 22, 45, 33, 71
  • 2, 5, 5, 13, 12, 25, 22, 47, 35, 75
  • 2, 6, 5, 9, 8, 20, 19, 45, 36, 74
  • 2, 6, 6, 13, 12, 26, 22, 48, 37, 78
  • 2, 6, 6, 14, 14, 30, 24, 48, 32, 70
  • 3, 3, 7, 6, 14, 12, 29, 27, 62, 50
  • 3, 3, 7, 6, 15, 14, 33, 27, 56, 45
  • 3, 3, 8, 7, 16, 15, 34, 29, 63, 46
  • 4, 4, 7, 5, 14, 14, 34, 30, 61, 48
  • 4, 4, 9, 8, 17, 15, 37, 31, 65, 52
  • 4, 4, 10, 10, 22, 19, 40, 28, 58, 47
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