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The crystal structure of the α-Na2B8O13 stable modification has been refined by single crystal X-ray diffraction at 293, 573 and 773 K. The compound is monoclinic, P21/a space group, unit-cell parameters at 273 K are: a = 6.507(3), b = 17.796(8), c = 8.377(5) Å, β = 96.60(4)°, Z = 4. The structure contains two interlocking boron-oxygen frameworks, each of them consisting of alternating single and double rings composed of two triangles and a tetrahedron so called triborate and pentaborate groups. Two non-equivalent sodium atoms linking two frameworks are coordinated by 8 oxygens. They are connected into finite chains consisting of four NaO8 polyhedra by sharing oxygen edges. The α-Na2B8O13 thermal expansion investigated by high temperature powder X-ray diffraction has sharply anisotropic character including negative thermal expansion: the coefficients of a thermal expansion tensor in temperature region 273-1000 K are α11 = 55-0.042 · (273 + t) α22=11, α33 = 15 + 0.032 · (273 + t), (x 10-6 K-1), μ = (cα33) = 42°. That high anisotropy is caused by anisotropic thermal vibrations of the Na atoms. Under heating a high stability of the B-O rigid groups and a weak contraction of some B-O bond lengths were revealed. In response to anisotropic thermal behaviour of Na atoms rigid B-O groups of the anion framework rotate relative to each other as a three-dimensional hinge.
Original language | English |
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Pages (from-to) | 444-450 |
Number of pages | 7 |
Journal | Zeitschrift fur Kristallographie |
Volume | 217 |
Issue number | 9 |
DOIs | |
State | Published - 1 Jan 2002 |
ID: 53952388