inorganic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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Na7Al3(As2O7)4

aLaboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar, 2092 Manar II Tunis, Tunisia
*Correspondence e-mail: n.f.bourguiba@live.fr

(Received 5 July 2013; accepted 21 July 2013; online 31 July 2013)

The title compound, hepta­sodium trialuminium tetrakis(diarsenate), has been isolated as single crystals from a solid-state reaction. Its structure, which is isotypic with that of the Na7Fe3(X2O7)4 (X = As, P) family of compounds, consists of AlO6 octa­hedra sharing their vertices with As2O7 groups, forming a three-dimensional [Al3(As2O7)4] framework incorporating channels occupied by the sodium ions. One of the aluminium ions lies on a crystallographic twofold axis. The sodium ions are situated over ten positions (one with site symmetry 2), all but one of which are partially occupied.

Related literature

For isotopic compounds, see: Masquelier & d'Yvoire (1991[Masquelier, C. & d'Yvoire, F. (1991). J. Solid State Chem. 95, 156-167.]); Masquelier et al. (1990[Masquelier, C., d'Yvoire, F. & Rodier, N. (1990). Acta Cryst. C46, 1584-1587.], 1994[Masquelier, C., d'Yvoire, F., Bretey, E., Berthet, P. & Peytour-Chansac, C. (1994). Solid State Ionics, 67, 183-189.]); Quarez et al.(2009[Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2009). New J. Chem. 33, 998-1005.], 2010[Quarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2010). New J. Chem. 34, 287-293.]). For bond lengths and angles in related structures, see: Driss & Jouini (1994[Driss, A. & Jouini, T. (1994). J. Solid State Chem. 112, 277-280.]); Masquelier et al. (1995[Masquelier, C., d'Yvoire, F. & Collin, G. (1995). J. Solid State Chem. 118, 33-44.]). For structural relationships, see: Lii et al. (1989[Lii, K. H., Chen, J. J. & Wang, S. L. (1989). J. Solid State Chem. 78, 178-183.]); Hwu & Willis (1991[Hwu, S.-J. & Willis, E. D. (1991). J. Solid State Chem. 93, 69-76.]); Boughzala et al. (1993)[Boughzala, H., Driss, A. & Jouini, T. (1993). Acta Cryst. C49, 425-427.]; Boughzala & Jouini (1995[Boughzala, H. & Jouini, T. (1995). Acta Cryst. C51, 179-181.]); Lin & Lii (1996[Lin, K.-J. & Lii, K.-H. (1996). Acta Cryst. C52, 2387-2389.]); Fukuoka et al. (2003[Fukuoka, H., Matsunaga, H. & Yamanaka, S. (2003). Mater. Res. Bull. 38, 991-1001.]); Ouerfelli et al. (2007[Ouerfelli, N., Guesmi, A., Mazza, D., Madani, A., Zid, M. F. & Driss, A. (2007). J. Solid State Chem. 180, 1224-1229.]). For bond-valence parameters, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]).

Experimental

Crystal data
  • Na7Al3(As2O7)4

  • Mr = 1289.23

  • Monoclinic, C 2/c

  • a = 9.800 (1) Å

  • b = 8.468 (1) Å

  • c = 28.637 (2) Å

  • β = 94.14 (1)°

  • V = 2370.3 (4) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 11.50 mm−1

  • T = 298 K

  • 0.25 × 0.20 × 0.10 mm

Data collection
  • Enraf–Nonius CAD-4 diffractometer

  • Absorption correction: ψ scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.759, Tmax = 0.891

  • 3958 measured reflections

  • 2583 independent reflections

  • 2150 reflections with I > 2σ(I)

  • Rint = 0.056

  • 2 standard reflections every 120 min intensity decay: 1.1%

Refinement
  • R[F2 > 2σ(F2)] = 0.034

  • wR(F2) = 0.085

  • S = 1.10

  • 2583 reflections

  • 221 parameters

  • Δρmax = 1.27 e Å−3

  • Δρmin = −0.98 e Å−3

Table 1
Selected bond lengths (Å)

Al1—O12i 1.906 (4)
Al1—O12 1.906 (4)
Al1—O1ii 1.932 (4)
Al1—O1iii 1.932 (4)
Al1—O3 1.994 (4)
Al1—O3i 1.994 (4)
Al2—O14 1.920 (4)
Al2—O10iv 1.933 (4)
Al2—O7iv 1.942 (4)
Al2—O5 1.947 (4)
Al2—O9v 1.955 (4)
Al2—O6ii 2.000 (4)
As1—O2 1.651 (4)
As1—O1 1.676 (4)
As1—O3 1.689 (4)
As1—O4 1.776 (4)
As2—O13 1.638 (4)
As2—O14 1.675 (4)
As2—O12 1.686 (4)
As2—O4 1.769 (4)
As3—O7 1.668 (4)
As3—O5 1.671 (4)
As3—O6 1.677 (4)
As3—O11 1.736 (4)
As4—O8 1.646 (4)
As4—O10 1.676 (4)
As4—O9 1.679 (4)
As4—O11 1.760 (4)
Symmetry codes: (i) [-x, y, -z+{\script{1\over 2}}]; (ii) [x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) -x+1, -y, -z+1; (v) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1].

Data collection: CAD-4 EXPRESS (Duisenberg, 1992[Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92-96.]; Macíček & Yordanov, 1992[Macíček, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73-80.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 1998[Brandenburg, K. (1998). DIAMOND. University of Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).

Supporting information


Comment top

A new family of compounds Na7M3(X2O7)4 (M = Fe, Al, Cr, Ga; X = P, As) studied by Masquelier et al. (1994) present interesting ion conductivity properties. In this family line, a structural study was carried out only for Na7Fe3(As2O7)4 and Na7Fe3(P2O7)4 compounds by Masquelier et al.(1990, 1991). In addition, another structural study was conducted to isotypes compounds Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 by Quarez et al. (2009). Also, electrical measurements were also made by Quarez et al. (2009) for Ag7Fe3(X2O7)4 (X = As, P) compounds. However, as for the Na7Al3(As2O7)4 compound no structural analysis has been reported so far.

The structure of compound Na7Al3(As2O7)4 shows a three-dimensional anionic framework [Al3(As2O7) 4] composed of octahedron AlO6 sharing vertices with As2O7 groups. This framework defines the interstitial spaces in which the Na + ions are located in a partially disordered distribution to ensure the electrical neutrality. The single unit [Al3(As2O7)4]7- consists of an octahedron Al1O6 and two octahedra Al2O6 related to As2O7 group by sharing vertices (Fig. 1). The two aluminium atoms occupy two crystallographically independent sites: the aluminium Al1 is in special position 4e of a symmetry equal to 2; whereas the Al2 is in general position of 8f. In this unit, the connection between the octahedra Al1O6 and Al2O6 is provided by the group As1As2O7 through oxygen atom O14. In this structure, the units [Al3(As2O7)4]7- are inter-related thanks to composite bridges of types Al—O—As and As—O—Al respectively. These bridges are located between the octahedra AlO6 and As2O7 diarsenates groups in order to handle two types of parallel layers to the (a, b) plan. According to (010) (Fig. 2), a projection of the structure shows that the anionic framework consists of a succession of layers as follow: A: [Al1(As2As3O7)2] and B: [(Al2As3As4O7)2] perpendicular to c alternately. In the layers A, the only components are Octahedra Al1O6, whereas other aluminium octahedra Al2O6 shape layers B.

On the one hand, in the layer A, each octahedron Al1O6 is connected to two groups As1As2O7 by sharing both a vertex and two other groups As1As2O7 such as the Al1O6 octahedron shares two of its vertices with the same group As2O7. By rotation around the fold axis, these groups are equivalent (Fig. 3). This mode of connection is found in phosphates: ARu2(P2O7)2 (A = Li, Na, Ag) (Fukuoka et al., 2003.), NaMo2(P2O7)2 (Hwu et al., 1991), and SrV2(P2O7)2 (Lii et al., 1989).

On the other hand, in the layer B, each octahedron Al2O6 is connected to four As2O7 groups through the formation of composite bridges Al—O—As and the division of two vertices with a fifth group As2O7 (Fig. 3). This layer is formed by AlAs2O11 units related through the formation of Al—O—As composed bridges. This type of M—O—As bond between MAs2O11 units (M = Al, Ga, Fe) is situated in the following isostructural compounds: RbAlAs2O7 (Boughzala et al., 1993), KAlAs2O7 (Boughzala et al., 1995), KGaAs2O7 (Lin et al., 1996) and TlFe0.22Al0.78As2O7 (Ouerfelli et al., 2007).

The O14 oxygen atom guarantees the bond between the layers A and B through the bridges Al2—O14—As2.

The anionic framework [Al3(As2O7)4] can be also described as alternate stacking of octahedral AlO6 layers and As2O7 groups layers parallel to (101) (Fig. 4).

In this structure, the sodium ions are distributed through ten crystallographic sites in the interstices of the anionic network. The first type of the site corresponding to 8f position is totally occupied by the Na1 cation which is localized in the layer B. As for the nine other sites, they are partially occupied. And these can be arranged into groups of three sets: (Na2A—Na2B—Na2C), (Na3A—Na3B) and (Na4A—Na4B—Na4C—Na4D). Different sites of the same group are too close to be occupied simultaneously. As a result, the total number of Na+ ions for each group is less than or equal to one. These sodium ions are predominantly located in the layer A and they are distributed in the vicinity of two plans parallel to (001) respectively to dimensions z 0.15 and z 0.35. Also, the Na2B site, located on the binary axis, occupies an intermediate position (z = 1/4). Examination of geometric factors in the structure shows that they are in accordance with those found in the literature (Driss et al., 1994; Masquelier et al., 1995.). In addition, the use of the BVS method for the calculation of different valences of bonds, using the empirical formula of Brown (Brown & Altermatt, 1985), does satisfy the expected values of ion charge: Al1 (2.73), Al2 (2.69), As1 (4.90), As2 (4.98), As3 (5.01), As4 (5.00), Na1 (1.16), Na2A (0.87), Na2B (1.13), Na2C (0.79), Na3A (1.00), Na3B (1.03), Na4A (0.97), Na4B (0.95), Na4C (1.01), Na4D (0, 93). In order to use these structural data and to connect them to the physicochemical properties, especially ion-conducting electrical measurements through a complex impedance bridge are in progress.

Related literature top

For isotopic compounds, see: Masquelier & D'Yvoire (1991); Masquelier et al. (1990, 1994); Quarez et al.(2009, 2010). For bond lengths and angles in related structures, see: Driss & Jouini (1994); Masquelier et al. (1995). For structural relationships, see: Lii et al. (1989); Hwu & Willis (1991); Boughzala et al. (1993); Boughzala & Jouini (1995); Lin & Lii (1996); Fukuoka et al. (2003); Ouerfelli et al. (2007). For bond-valence parameters, see: Brown & Altermatt (1985).

Experimental top

The crystals related to the Na7Al3 (As2O7)4 phase were obtained from reactants: NaHCO3 (Prolabo, 27778), Al2O3 (Riedel-de Haen, 167305) NH4H2AsO4 (prepared in the laboratory, JCPDS-775), taken in molar proportions: Na: A l: As = 10: 1: 9. Finely ground, the mixture was put in a porcelain crucible, placed in an oven and preheated in air at 673 K for 24 h to remove volatiles. After that, the mixture is raised to a synthesis temperature close to the melting 968 K through stages of 100 degrees followed by grinding. The mixture is then left at this temperature for a week to promote germination and growth of crystals. The final residue undergoes a first slow cooling (5 ° / half day, at 800 K) and a second fast (50 ° / h) to room temperature. Transparent crystals of prismatic form, clear outline and sufficient size for measurements of intensities, have been separated from the stream by successive hot water washes.

Refinement top

The collection was carried out in the monoclinic system of C2 / c space group. During the final refinement and for electrical neutrality reasons, the occupancy rate of Na+ cations were conducted using the SUMP condition authorized by the SHELXL program. The refinement of all variable parameters leads to well defined ellipsoids. The maximum and minimum densities of electrons remaining in the Fourier-difference are respectively situated at 0.86 Å from the As4 site and at 1.35 Å from the NA3B site.

Computing details top

Data collection: CAD-4 EXPRESS (Duisenberg, 1992; Macíček & Yordanov, 1992); cell refinement: CAD-4 EXPRESS (Duisenberg, 1992; Macíček & Yordanov, 1992); data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1998); software used to prepare material for publication: WinGX (Farrugia, 2012).

Figures top
[Figure 1] Fig. 1. Part of Na7Al3 (As2O7) 4 structure. The ellipsoids were defined with 50% probability. [Symmetry code: (i): - x, y, - z + 0.5; (ii): x - 1/2, y - 1/2, z; (iii): - x + 1/2, y - 1/2, - z + 0.5; (iv): - x + 1, - y, - z + 1; (v): -x + 1/2, - y + 1/2, - z + 1].
[Figure 2] Fig. 2. Projection of Na7Al3(As2O7)4 structure along [010]. The Na sites are numbered. The picture indicates the location of the A and B layers and the π planes at z 0.15 and 0.35.
[Figure 3] Fig. 3. Arrangement of Al1O6 octahedra and As1As2O7 groups in the A-layer and arrangement of Al2O6 octahedra and As3As4O7 groups in the B-layer.
[Figure 4] Fig. 4. Alternate stacking of octahedral AlO6 layers and As2O7 groups layers parallel to (-101).
Heptasodium trialuminium tetrakis(diarsenate) top
Crystal data top
Na7Al3(As2O7)4F(000) = 2416
Mr = 1289.23Dx = 3.613 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 25 reflections
a = 9.800 (1) Åθ = 10–15°
b = 8.468 (1) ŵ = 11.50 mm1
c = 28.637 (2) ÅT = 298 K
β = 94.14 (1)°Parallelipiped, colorless
V = 2370.3 (4) Å30.25 × 0.20 × 0.1 mm
Z = 4
Data collection top
Enraf–Nonius CAD-4
diffractometer
2150 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.056
Graphite monochromatorθmax = 27.0°, θmin = 2.9°
ω/2θ scansh = 123
Absorption correction: ψ scan
(North et al., 1968)
k = 110
Tmin = 0.759, Tmax = 0.891l = 3636
3958 measured reflections2 standard reflections every 120 min
2583 independent reflections intensity decay: 1.1%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034 w = 1/[σ2(Fo2) + (0.0314P)2 + 24.9095P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.085(Δ/σ)max = 0.001
S = 1.10Δρmax = 1.27 e Å3
2583 reflectionsΔρmin = 0.98 e Å3
221 parametersExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00057 (6)
Crystal data top
Na7Al3(As2O7)4V = 2370.3 (4) Å3
Mr = 1289.23Z = 4
Monoclinic, C2/cMo Kα radiation
a = 9.800 (1) ŵ = 11.50 mm1
b = 8.468 (1) ÅT = 298 K
c = 28.637 (2) Å0.25 × 0.20 × 0.1 mm
β = 94.14 (1)°
Data collection top
Enraf–Nonius CAD-4
diffractometer
2150 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.056
Tmin = 0.759, Tmax = 0.8912 standard reflections every 120 min
3958 measured reflections intensity decay: 1.1%
2583 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0340 restraints
wR(F2) = 0.085 w = 1/[σ2(Fo2) + (0.0314P)2 + 24.9095P]
where P = (Fo2 + 2Fc2)/3
S = 1.10Δρmax = 1.27 e Å3
2583 reflectionsΔρmin = 0.98 e Å3
221 parameters
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Al10.00000.1057 (3)0.25000.0082 (4)
Al20.31736 (15)0.02622 (18)0.43636 (5)0.0069 (3)
As10.30056 (5)0.28137 (6)0.246216 (18)0.00898 (15)
As20.21753 (5)0.15080 (6)0.338657 (18)0.00927 (15)
As30.58680 (5)0.20071 (6)0.464306 (18)0.00733 (14)
As40.48861 (5)0.34009 (6)0.557696 (18)0.00774 (14)
O10.3645 (4)0.4537 (5)0.26651 (14)0.0149 (8)
O20.3734 (4)0.2071 (5)0.20087 (13)0.0149 (8)
O30.1281 (4)0.2823 (5)0.23865 (14)0.0148 (8)
O40.3327 (4)0.1491 (4)0.29386 (13)0.0119 (8)
O50.4404 (4)0.1537 (5)0.43395 (15)0.0170 (9)
O60.6943 (4)0.2857 (5)0.42888 (14)0.0145 (8)
O70.6569 (4)0.0529 (4)0.49622 (13)0.0120 (8)
O80.5686 (4)0.4760 (5)0.59037 (13)0.0148 (8)
O90.3192 (4)0.3690 (5)0.54893 (14)0.0142 (8)
O100.5262 (4)0.1554 (4)0.57538 (14)0.0133 (8)
O110.5459 (4)0.3542 (4)0.50101 (13)0.0139 (8)
O120.0599 (4)0.1063 (5)0.31482 (14)0.0162 (8)
O130.2283 (5)0.3289 (5)0.36098 (15)0.0210 (9)
O140.2752 (4)0.0052 (5)0.37014 (13)0.0162 (8)
Na10.2221 (3)0.1225 (3)0.44633 (9)0.0249 (6)
Na2A0.5268 (10)0.0466 (12)0.3075 (4)0.017 (2)*0.24
Na2B0.50000.0010 (13)0.25000.013 (2)*0.28
Na2C0.5094 (8)0.0556 (10)0.3269 (3)0.0236 (18)*0.32
Na3A0.0283 (5)0.1551 (6)0.35860 (17)0.0186 (11)*0.58
Na3B0.0112 (8)0.1372 (9)0.3504 (3)0.0118 (16)*0.33
Na4A0.233 (2)0.100 (3)0.3543 (7)0.016 (4)*0.13
Na4B0.1483 (11)0.2292 (14)0.3505 (3)0.024 (2)*0.27
Na4C0.1939 (9)0.0862 (10)0.3420 (3)0.0220 (17)*0.35
Na4D0.184 (2)0.175 (3)0.3538 (7)0.025 (4)*0.14
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Al10.0067 (9)0.0083 (10)0.0094 (10)0.0000.0000 (8)0.000
Al20.0071 (7)0.0064 (7)0.0072 (7)0.0000 (6)0.0004 (5)0.0007 (6)
As10.0065 (2)0.0108 (3)0.0096 (3)0.00147 (19)0.00072 (18)0.00172 (19)
As20.0100 (3)0.0103 (3)0.0074 (3)0.0014 (2)0.00003 (18)0.0014 (2)
As30.0066 (2)0.0081 (3)0.0074 (3)0.00032 (19)0.00102 (18)0.00067 (19)
As40.0076 (2)0.0075 (3)0.0083 (3)0.00002 (19)0.00122 (18)0.00046 (18)
O10.0154 (19)0.0102 (19)0.019 (2)0.0034 (16)0.0032 (15)0.0008 (16)
O20.0134 (18)0.017 (2)0.0151 (19)0.0001 (16)0.0077 (14)0.0027 (16)
O30.0036 (16)0.016 (2)0.025 (2)0.0003 (15)0.0023 (14)0.0049 (17)
O40.0077 (16)0.0145 (19)0.0136 (18)0.0026 (15)0.0024 (14)0.0037 (15)
O50.0125 (18)0.0120 (19)0.025 (2)0.0018 (15)0.0103 (16)0.0004 (16)
O60.0127 (18)0.017 (2)0.0149 (19)0.0003 (16)0.0066 (14)0.0055 (16)
O70.0139 (18)0.0114 (19)0.0103 (18)0.0063 (15)0.0011 (14)0.0018 (15)
O80.0169 (19)0.0147 (19)0.013 (2)0.0044 (16)0.0005 (15)0.0055 (15)
O90.0089 (17)0.0145 (19)0.019 (2)0.0014 (15)0.0009 (15)0.0017 (16)
O100.0145 (18)0.0076 (18)0.018 (2)0.0010 (15)0.0025 (15)0.0047 (15)
O110.025 (2)0.0084 (18)0.0088 (18)0.0017 (16)0.0077 (15)0.0018 (15)
O120.0063 (16)0.024 (2)0.018 (2)0.0019 (16)0.0012 (14)0.0011 (17)
O130.035 (2)0.0112 (19)0.017 (2)0.0013 (18)0.0032 (17)0.0012 (17)
O140.022 (2)0.0135 (19)0.013 (2)0.0012 (16)0.0021 (15)0.0030 (16)
Na10.0255 (13)0.0141 (12)0.0370 (15)0.0030 (10)0.0148 (11)0.0035 (11)
Geometric parameters (Å, º) top
Al1—O12i1.906 (4)Na2B—O3ix2.274 (10)
Al1—O121.906 (4)Na2B—O3iii2.274 (10)
Al1—O1ii1.932 (4)Na2B—O4viii2.477 (7)
Al1—O1iii1.932 (4)Na2B—O2viii2.512 (9)
Al1—O31.994 (4)Na2C—O13ix2.492 (9)
Al1—O3i1.994 (4)Na2C—O3iii2.619 (9)
Al2—O141.920 (4)Na2C—O2viii2.652 (10)
Al2—O10iv1.933 (4)Na2C—O12ix2.931 (9)
Al2—O7iv1.942 (4)Na2C—O10iv2.968 (11)
Al2—O51.947 (4)Na3A—O2iii2.330 (6)
Al2—O9v1.955 (4)Na3A—O8v2.353 (6)
Al2—O6ii2.000 (4)Na3A—O6ii2.545 (7)
As1—O21.651 (4)Na3A—O5ii2.879 (6)
As1—O11.676 (4)Na3A—O13ii2.949 (7)
As1—O31.689 (4)Na3B—O8v2.279 (8)
As1—O41.776 (4)Na3B—O2iii2.451 (8)
As2—O131.638 (4)Na3B—O13ii2.608 (9)
As2—O141.675 (4)Na3B—O1ii2.725 (9)
As2—O121.686 (4)Na3B—O4ii2.807 (8)
As2—O41.769 (4)Na3B—O6ii2.980 (9)
As3—O71.668 (4)Na4A—O2i2.213 (19)
As3—O51.671 (4)Na4A—O8v2.271 (19)
As3—O61.677 (4)Na4A—O13ii2.33 (2)
As3—O111.736 (4)Na4A—O6vii2.79 (2)
As4—O81.646 (4)Na4B—O14x2.449 (11)
As4—O101.676 (4)Na4B—O8v2.512 (11)
As4—O91.679 (4)Na4B—O10v2.555 (11)
As4—O111.760 (4)Na4B—O2i2.568 (11)
Na1—O8v2.265 (5)Na4B—O3i2.613 (11)
Na1—O9vi2.302 (5)Na4B—O6vii2.854 (11)
Na1—O7vii2.429 (4)Na4C—O8v2.278 (8)
Na1—O13ii2.492 (5)Na4C—O2i2.310 (9)
Na1—O5ii2.517 (5)Na4C—O13ii2.384 (9)
Na1—O9ii2.938 (5)Na4C—O1ii2.538 (10)
Na1—O11ii2.966 (5)Na4C—O3i2.954 (9)
Na1—O10vi3.013 (5)Na4D—O8v2.28 (2)
Na2A—O2viii2.380 (11)Na4D—O2i2.36 (2)
Na2A—O3iii2.420 (10)Na4D—O6vii2.70 (2)
Na2A—O13ix2.631 (11)Na4D—O14x2.78 (3)
Na2A—O3ix2.692 (12)Na4D—O10v2.85 (2)
Na2A—O12ix2.962 (11)Na4D—O3i2.89 (2)
O12i—Al1—O12179.7 (3)O2—As1—O4107.54 (19)
O12i—Al1—O1ii94.10 (18)O1—As1—O4103.99 (19)
O12—Al1—O1ii86.13 (17)O3—As1—O4102.82 (18)
O12i—Al1—O1iii86.13 (17)O13—As2—O14120.4 (2)
O12—Al1—O1iii94.10 (18)O13—As2—O12113.3 (2)
O1ii—Al1—O1iii96.5 (3)O14—As2—O12107.8 (2)
O12i—Al1—O389.56 (18)O13—As2—O4105.3 (2)
O12—Al1—O390.19 (17)O14—As2—O4100.13 (19)
O1ii—Al1—O3172.35 (19)O12—As2—O4108.58 (18)
O1iii—Al1—O390.44 (16)O7—As3—O5114.24 (19)
O12i—Al1—O3i90.19 (17)O7—As3—O6113.67 (19)
O12—Al1—O3i89.56 (18)O5—As3—O6109.9 (2)
O1ii—Al1—O3i90.44 (16)O7—As3—O11109.49 (18)
O1iii—Al1—O3i172.35 (19)O5—As3—O11105.4 (2)
O3—Al1—O3i82.8 (2)O6—As3—O11103.15 (19)
O14—Al2—O10iv89.86 (18)O8—As4—O10113.3 (2)
O14—Al2—O7iv174.86 (18)O8—As4—O9114.1 (2)
O10iv—Al2—O7iv93.40 (17)O10—As4—O9111.99 (19)
O14—Al2—O588.99 (18)O8—As4—O11107.83 (19)
O10iv—Al2—O586.32 (18)O10—As4—O11105.32 (18)
O7iv—Al2—O595.18 (18)O9—As4—O11103.31 (19)
O14—Al2—O9v92.74 (18)As1—O1—Al1xi137.9 (2)
O10iv—Al2—O9v170.74 (18)As1—O3—Al1127.7 (2)
O7iv—Al2—O9v84.66 (17)As2—O4—As1117.7 (2)
O5—Al2—O9v84.85 (18)As3—O5—Al2132.7 (2)
O14—Al2—O6ii83.26 (17)As3—O6—Al2xi132.6 (2)
O10iv—Al2—O6ii90.59 (17)As3—O7—Al2iv130.6 (2)
O7iv—Al2—O6ii92.73 (17)As4—O9—Al2v138.8 (2)
O5—Al2—O6ii171.67 (19)As4—O10—Al2iv129.4 (2)
O9v—Al2—O6ii98.54 (17)As3—O11—As4127.6 (2)
O2—As1—O1115.63 (19)As2—O12—Al1127.1 (2)
O2—As1—O3112.7 (2)As2—O14—Al2130.2 (2)
O1—As1—O3112.73 (19)
Symmetry codes: (i) x, y, z+1/2; (ii) x1/2, y1/2, z; (iii) x+1/2, y1/2, z+1/2; (iv) x+1, y, z+1; (v) x+1/2, y+1/2, z+1; (vi) x, y, z+1; (vii) x1, y, z; (viii) x+1, y, z+1/2; (ix) x+1/2, y1/2, z; (x) x1/2, y+1/2, z; (xi) x+1/2, y+1/2, z.
Selected bond lengths (Å) top
Al1—O12i1.906 (4)As1—O31.689 (4)
Al1—O121.906 (4)As1—O41.776 (4)
Al1—O1ii1.932 (4)As2—O131.638 (4)
Al1—O1iii1.932 (4)As2—O141.675 (4)
Al1—O31.994 (4)As2—O121.686 (4)
Al1—O3i1.994 (4)As2—O41.769 (4)
Al2—O141.920 (4)As3—O71.668 (4)
Al2—O10iv1.933 (4)As3—O51.671 (4)
Al2—O7iv1.942 (4)As3—O61.677 (4)
Al2—O51.947 (4)As3—O111.736 (4)
Al2—O9v1.955 (4)As4—O81.646 (4)
Al2—O6ii2.000 (4)As4—O101.676 (4)
As1—O21.651 (4)As4—O91.679 (4)
As1—O11.676 (4)As4—O111.760 (4)
Symmetry codes: (i) x, y, z+1/2; (ii) x1/2, y1/2, z; (iii) x+1/2, y1/2, z+1/2; (iv) x+1, y, z+1; (v) x+1/2, y+1/2, z+1.
 

References

First citationBoughzala, H., Driss, A. & Jouini, T. (1993). Acta Cryst. C49, 425–427.  CrossRef CAS Web of Science IUCr Journals
First citationBoughzala, H. & Jouini, T. (1995). Acta Cryst. C51, 179–181.  CrossRef CAS Web of Science IUCr Journals
First citationBrandenburg, K. (1998). DIAMOND. University of Bonn, Germany.
First citationBrown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244–247.  CrossRef CAS Web of Science IUCr Journals
First citationDriss, A. & Jouini, T. (1994). J. Solid State Chem. 112, 277–280.  CrossRef CAS Web of Science
First citationDuisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92–96.  CrossRef CAS Web of Science IUCr Journals
First citationFarrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854.  Web of Science CrossRef CAS IUCr Journals
First citationFukuoka, H., Matsunaga, H. & Yamanaka, S. (2003). Mater. Res. Bull. 38, 991–1001.  Web of Science CrossRef CAS
First citationHarms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
First citationHwu, S.-J. & Willis, E. D. (1991). J. Solid State Chem. 93, 69–76.  CrossRef CAS Web of Science
First citationLii, K. H., Chen, J. J. & Wang, S. L. (1989). J. Solid State Chem. 78, 178–183.  CrossRef CAS Web of Science
First citationLin, K.-J. & Lii, K.-H. (1996). Acta Cryst. C52, 2387–2389.  CrossRef CAS Web of Science IUCr Journals
First citationMacíček, J. & Yordanov, A. (1992). J. Appl. Cryst. 25, 73–80.  CrossRef Web of Science IUCr Journals
First citationMasquelier, C. & d'Yvoire, F. (1991). J. Solid State Chem. 95, 156–167.  CrossRef CAS Web of Science
First citationMasquelier, C., d'Yvoire, F., Bretey, E., Berthet, P. & Peytour-Chansac, C. (1994). Solid State Ionics, 67, 183–189.  CrossRef CAS Web of Science
First citationMasquelier, C., d'Yvoire, F. & Collin, G. (1995). J. Solid State Chem. 118, 33–44.  CrossRef CAS Web of Science
First citationMasquelier, C., d'Yvoire, F. & Rodier, N. (1990). Acta Cryst. C46, 1584–1587.  CrossRef CAS Web of Science IUCr Journals
First citationNorth, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351–359.  CrossRef IUCr Journals Web of Science
First citationOuerfelli, N., Guesmi, A., Mazza, D., Madani, A., Zid, M. F. & Driss, A. (2007). J. Solid State Chem. 180, 1224–1229.  Web of Science CrossRef CAS
First citationQuarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2009). New J. Chem. 33, 998–1005.  Web of Science CrossRef CAS
First citationQuarez, E., Mentré, O., Oumellala, Y. & Masquelier, C. (2010). New J. Chem. 34, 287–293.  Web of Science CSD CrossRef CAS
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals

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