(IUCr) Dirubidium digallium oxide bis(orthoborate)

Volume 64
Part 4
Page i23
April 2008

Received 8 February 2008
Accepted 29 February 2008
Online 7 March 2008

Key indicators
Single-crystal X-ray study
T = 297 K
Mean (O-B) = 0.010 Å
R = 0.037
wR = 0.091
Data-to-parameter ratio = 13.3
Details

Dirubidium digallium oxide bis(orthoborate)

Robert W. Smith,^a ^* Chunhua Hu ^b and Christopher D. DeSpain ^a

^aDepartment of Chemistry, University of Nebraska at Omaha, Omaha, NE 68182-0109, USA, and ^bNebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, NE 68588-0304, USA
Correspondence e-mail: robertsmith@mail.unomaha.edu

The title compound, Rb₂Ga₂O(BO₃)₂, is part of the homologous series A₂Ga₂O(BO₃)₂ (A = Na, K, Rb and Cs). The structure contains pairs of gallium-centered tetrahedra connected through a shared oxygen vertex. Orthoborate triangles connect the basal vertices of the tetrahedra, forming a three-dimensional network with voids occupied by rubidium ions.

Related literature

For related literature, see: Chen et al. (2004); Corbel & Leblanc (2000); Smith (1995, 1997).

Experimental

Crystal data

Rb₂Ga₂O(BO₃)₂
M_r = 444.00
Monoclinic, P 2₁ /c
a = 8.8115 (18) Å
b = 7.7224 (16) Å
c = 11.997 (3) Å
= 104.246 (4)°
V = 791.3 (3) Å³
Z = 4
Mo K radiation
= 19.03 mm^-1
T = 297 (2) K
0.23 × 0.21 × 0.19 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: numerical (SADABS; Sheldrick, 2003) T_min = 0.118, T_max = 0.429
8611 measured reflections
1568 independent reflections
1151 reflections with I > 2(I)
R_int = 0.093

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.091
S = 1.05
1568 reflections
118 parameters
_max = 1.28 e Å^-3
_min = -0.90 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Ga1-O3ⁱ	1.834 (5)
Ga1-O4ⁱⁱ	1.834 (5)
Ga1-O6	1.831 (5)
Ga1-O7ⁱⁱⁱ	1.790 (5)
Ga2-O1	1.840 (5)
Ga2-O2ⁱⁱⁱ	1.838 (5)
Ga2-O5^iv	1.832 (5)
Ga2-O7	1.810 (5)
B1-O1	1.376 (10)
B1-O2^v	1.370 (10)
B1-O3	1.358 (10)
B2-O4	1.366 (9)
B2-O5	1.395 (9)
B2-O6ⁱⁱⁱ	1.341 (10)

O7ⁱⁱⁱ-Ga1-O6	110.8 (2)
O7ⁱⁱⁱ-Ga1-O4ⁱⁱ	110.4 (2)
O6-Ga1-O4ⁱⁱ	114.5 (2)
O7ⁱⁱⁱ-Ga1-O3ⁱ	110.4 (2)
O6-Ga1-O3ⁱ	105.7 (2)
O4ⁱⁱ-Ga1-O3ⁱ	104.8 (2)
O7-Ga2-O5^iv	109.3 (2)
O7-Ga2-O2ⁱⁱⁱ	109.5 (2)
O5^iv-Ga2-O2ⁱⁱⁱ	110.6 (2)
O7-Ga2-O1	112.5 (2)
O5^iv-Ga2-O1	109.3 (2)
O2ⁱⁱⁱ-Ga2-O1	105.7 (2)
O3-B1-O2^v	119.4 (7)
O3-B1-O1	117.8 (8)
O2^v-B1-O1	122.7 (7)
O6ⁱⁱⁱ-B2-O4	124.7 (7)
O6ⁱⁱⁱ-B2-O5	116.3 (7)
O4-B2-O5	119.0 (7)
Symmetry codes: (i) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (ii) x+1, y, z; (iii) -x+1, -y, -z+1; (iv) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (v) x, y, z+1.

Data collection: SMART (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2003); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg & Putz, 2007); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: MG2048 ).

Acknowledgements

This work was supported by the Nebraska Research Initiative.

References

Brandenburg, K. & Putz, H. (2007). DIAMOND. Crystal Impact, Bonn, Germany.
Bruker (2003). SAINT-Plus. Bruker AXS Inc., Madison, Wisconson, USA.
Bruker (2005). SMART. Bruker AXS Inc., Madison, Wisconson, USA.
Chen, C., Lin, Z. & Wang, Z. (2004). Appl. Phys. B80, 1-25.
Corbel, G. & Leblanc, M. (2000). J. Solid State Chem. 154, 344-349.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Smith, R. W. (1995). Acta Cryst. C51, 547-549.
Smith, R. W., Kennard, M. A. & Dudik, M. J. (1997). Mater. Res. Bull. 32, 649-656.

inorganic compounds