Download citation
Download citation
link to html
Caesium aluminium dizirconium tetra­kis­[phosphate(V)], CsAlZr2(PO4)4, has been synthesized by high-temperature reaction and studied by single-crystal X-ray diffraction at room temperature. This represents the first detailed structural analysis of an anhydrous phosphate containing both zirconium and aluminium. The structure features a complicated three-dimensional framework of [AlZr2(PO4)4] constructed by PO4, AlO4 and ZrO6 polyhedra inter­connected via corner-sharing O atoms, and one-dimensional Cs chains which are located in the infinite tunnels within the [AlZr2(PO4)4] framework, which run along the c axis. The Cs, Al, one P and two O atoms lie on a mirror plane, while a second P atom lies on a twofold axis.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270110050535/ku3036sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270110050535/ku3036Isup2.hkl
Contains datablock I

Comment top

Anhydrous inorganic metal phosphates prepared by high-temperature solid-state reactions have been part [the focus?] of intensive research activities and their number has grown steadily (Kanatzidis et al., 2007; Ettis et al., 2003;Zaripov et al., 2009; Zatovsky et al., 2007; Xiong et al., 2007; Ranmohotti et al., 2006; Parreu et al., 2006). The crystal chemistry of these compounds with partial structures mainly built from PO4 tetrahedral building units reveals a large structural variety, which is usually accompanied by intriguing magnetism, electric, optical and thermal expansion properties. Furthermore, chemical and thermal stability ensures their wide application in many fields. Introduction of MIV (M = Ti, Zr, Ge, Sn) cations into the phosphates can form [result in?] many different three-dimensional frameworks with the basic unit of MO6 octahedra and PO4 tetrahedra, such as KTiPO5 (Tordjman et al., 1974) and NaZr2(PO4)3 (Hagman et al., 1968). As for ZrIV metal, the reported phosphates include KZr2(PO4)3 (Sljukic et al., 1969), K4CeZr(PO4)4 (Ogorodnyk, et al., 2006), Na3AZr(PO4)3 (A = Mg, Ni; Chakir et al., 2006), A2Mg0.5Zr1.5(PO4)3 (A = K, Rb, Cs; Orlova et al., 2005) and NaNbZr(PO4)3 (Bennouna et al., 1995) etc. We expected that introduction of AlO4 groups which may serve as bridges between ZrO6 and PO4 building units would result in new zirconium phosphate compounds with novel architectures. Our research efforts in this regard have led to a novel caesium aluminium zirconium phosphate compound, namely, CsAlZr2(PO4)4. To the best of our knowledge, it represents the first compound in the quinary Cs/Al/Zr/P/O system.

The title compound, CsAlZr2(PO4)4, crystallizes in the orthorhombic space group Pbcm, with 15 crystallographically independent atoms, viz. one Cs, one Al, one Zr, three P and nine O atoms. Fig. 1 illustrates a selected unit of the compound, which highlights that the Zr atom is six-coordinated by O atoms in an octahedral geometry. The Zr—O bond distances are in the range 2.038 (3)–2.095 (3) Å, with a mean value of 2.067 (3) Å, which is in good agreement with those found in other zirconium(IV) compounds, such as BaZr(PO4)2 (Bregiroux et al., 2009), Zr2(MoO4)(PO4)2 (Cetinkol et al., 2009) and Rb2Zr(IO3)6 (Shehee et al., 2005). The P and Al atoms all have the four-coordinated geometry with O atoms. The P—O distances fall in the range 1.510 (3)–1.540 (3) Å, and the O—P—O angles range from 105.7 (2) to 112.40 (17)°, which is comparable to those reported in other metal phosphates (Ettis et al., 2003; Zhao et al., 2010). The Al—O bond distances fall in the range 1.720 (4)–1.729 (4) Å, and the O—Al—O bond angles range from 102.9 (2) to 115.13 (13)°, which is similar to those reported in other aluminium(III) compounds, such as Ca12Al14O32Cl2 (Iwata et al., 2008) and Sr(Al2Si2O8) (Nedic et al., 2008).

The structure of CsAlZr2(PO4)4 features a complicated three-dimensional framework of [AlZr2(PO4)4] constructed by interconnected PO4, AlO4 and ZrO6 polyhedra. Fig. 2 shows the polyhedral connectivity of them. All PO4 tetrahedra are isolated from each other, and they are linked to adjacent polyhedra only by corner-sharing O atoms. The P1O4 tetrahedron is coordinated by two Al1O4 and two Zr1O6 polyhedra; the P2O4 tetrahedron is coordinated by four Zr1O6 octahedra; P3O4 is coordinated by one Al1O4 tetrahedron and three Zr1O6 octahedra. As for the connection of ZrO6 polyhedra, the Zr1O6 polyhedron is coordinated by six PO4 tetrahedra, that is, three P3O4, two P2O4 and one P1O4 polyhedra. On the other hand, AlO4 tetrahedra are also isolated from each other: four corners are shared with two P1O4 and two P3O4 polyhedra. It is notable that all nine asymmetric O atoms are all in bicoordinate bridging mode. As in all the above-mentioned groups, AlO4, ZrO6 and PO4 are interconnected via corner-sharing O atoms to form the three-dimensional framework of [AlZr2(PO4)4].

Furthermore, the framework [AlZr2(PO4)4] delimits infinite tunnels along the c axis in which the Cs atoms are located through coulombic action of Cs+ cations and O2- anions to form the final structure of CsAlZr2(PO4)4. It is interesting to note that the Cs atoms are in linear array with the adjacent Cs···Cs distance 8.9897 (6) Å. Considering the coordination of Cs atoms, they have an 11-fold coordination of O atoms, which come from six two AlO4, four ZrO6 and six PO4 groups, as shown in Fig. 3. The Cs—O bond distances range from 3.131 (4) to 3.658 (3) Å. Compounds containing 11-coordinated-geometry Cs atoms have been reported in the literature, for example CsPr(PO3)4 (Horchani-Naifer & Férid, 2007), CsGd(PO3)4 (Naïli & Mhiri, 2005) and Cs2GeP4O13 (Zhao et al., 2009).

Finally, the structure can be checked by bond-valence-sum (BVS) analysis (Brese & O'Keeffe, 1991). The calculated total BVS for Cs1, Al1, Zr1, P1, P2 and P3 are 1.005, 3.260, 4.236, 5.038, 4.886 and 5.001, respectively, which show the oxidation states of Cs, Al, Zr and P are +1, +3, +4 and +5, respectively.

Related literature top

For related literature, see: Bennouna et al. (1995); Bregiroux et al. (2009); Cetinkol et al. (2009); Chakir et al. (2006); Ettis et al. (2003); Hagman & Kierkegaard (1968); Herbstein (2000); Horchani-Naifer & Férid (2007); Iwata et al. (2008); Kanatzidis & Poeppelmeier (2007); Naïli & Mhiri (2005); Nedic et al. (2008); Ogorodnyk et al. (2006); Orlova et al. (2005); Parreu et al. (2006); Ranmohotti et al. (2006); Shehee et al. (2005); Sljukic et al. (1969); Tordjman et al. (1974); Xiong et al. (2007); Zaripov et al. (2009); Zatovsky et al. (2007); Zhao & Li (2010); Zhao et al. (2009).

Experimental top

Single crystals of CsAlZr2(PO4)4 have been prepared by high-temperature reaction in air. A powder mixture of Cs2CO3 (0.8854 g), Al2O3 (0.1662 g), ZrO2 (0.4018 g) and NH4H2PO4 (3.000 g) in a Cs:Al:Zr:P molar ratio of 1.66:1:1:8 was first ground in an agate mortar and then transferred to a platinum crucible. The sample was gradually heated in air at 1173 K for 20 h. At this stage, the reagents were partially melted. After that, the intermediate product was cooled slowly to 773 K at a rate of 5 K h-1, kept at this temperature for 10 h and then quenched to room temperature. After boiling in NH3 (5%) solution, a transparent prismatic-shaped white crystal with dimensions of 0.16 × 0.10 × 0.10 mm was selected carefully from the mixture for X-ray diffraction analysis.

Refinement top

The orthorhombic unit-cell parameters determined by the diffractometer were a = ????Å, b = ????Å and c = ????Å [authors to supply their original cell parameters and s.u.s]. Given that the standard uncertainties (s.u. values) of unit-cell parameters calculated by the cell determination software on area-detector diffractometers are usually significantly smaller than the reproducibility of the parameters (Herbstein, 2000), the unit-cell s.u. values used in the final refinement and reported here have been set to values estimated to reflect more realistically the precision of the unit-cell parameters. The highest peak in the difference electron-density map is 0.06 Å from the Zr1 site and the deepest hole is 0.56 Å from the Cs1 site.

Computing details top

Data collection: CrystalClear (Rigaku, 2004); cell refinement: CrystalClear (Rigaku, 2004); data reduction: CrystalClear (Rigaku, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXL97 (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of CsAlZr2(PO4)4, expanded to show the coordination environments of the Zr1, Al1, P1, P2 and P3 atoms. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, y, z; (ii) 1-x, 1/2 + y, 1.5 - z; (iii)1 + x, y, z; (iv) x, y, 1.5 - z; (v) -x, 1/2 + y, z; (vi) -x, 1 - y, 2 - z; (vii) x, 1.5 - y, 2 - z; (viii) 1 - x, 1 - y, 2 - z; (ix) 1 - x, -1/2 + y, z.]
[Figure 2] Fig. 2. A view of the three-dimensional crystal structure of CsAlZr2(PO4)4. Cs1—O bonds have been omitted for clarity.
[Figure 3] Fig. 3. A view of the coordination of the Cs1 atom.
Caesium aluminium dizirconium tetrakis[phosphate(V)] top
Crystal data top
CsAlZr2(PO4)4F(000) = 1344
Mr = 722.21Dx = 3.246 Mg m3
Orthorhombic, PbcmMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2c 2bCell parameters from 3559 reflections
a = 8.742 (2) Åθ = 2.2–27.5°
b = 9.403 (3) ŵ = 4.41 mm1
c = 17.979 (3) ÅT = 293 K
V = 1477.9 (6) Å3Prism, white
Z = 40.16 × 0.10 × 0.10 mm
Data collection top
Rigaku Mercury70 CCD
diffractometer
1751 independent reflections
Radiation source: fine-focus sealed tube1696 reflections with I > 2σ(I)
Graphite Monochromator monochromatorRint = 0.027
Detector resolution: 14.6306 pixels mm-1θmax = 27.5°, θmin = 2.3°
ω scansh = 1011
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 912
Tmin = 0.539, Tmax = 0.667l = 2322
10513 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.028Secondary atom site location: difference Fourier map
wR(F2) = 0.068 w = 1/[σ2(Fo2) + (0.0309P)2 + 5.7964P]
where P = (Fo2 + 2Fc2)/3
S = 1.15(Δ/σ)max = 0.001
1751 reflectionsΔρmax = 0.49 e Å3
117 parametersΔρmin = 1.79 e Å3
Crystal data top
CsAlZr2(PO4)4V = 1477.9 (6) Å3
Mr = 722.21Z = 4
Orthorhombic, PbcmMo Kα radiation
a = 8.742 (2) ŵ = 4.41 mm1
b = 9.403 (3) ÅT = 293 K
c = 17.979 (3) Å0.16 × 0.10 × 0.10 mm
Data collection top
Rigaku Mercury70 CCD
diffractometer
1751 independent reflections
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
1696 reflections with I > 2σ(I)
Tmin = 0.539, Tmax = 0.667Rint = 0.027
10513 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.028117 parameters
wR(F2) = 0.0680 restraints
S = 1.15Δρmax = 0.49 e Å3
1751 reflectionsΔρmin = 1.79 e Å3
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*/Ueq
Cs10.34872 (5)0.75153 (4)0.75000.02454 (12)
Zr10.24879 (4)0.46864 (3)0.928485 (18)0.00506 (10)
P10.09892 (14)0.42270 (13)0.75000.0066 (2)
Al10.79989 (17)0.60136 (15)0.75000.0063 (3)
O10.1042 (5)0.2611 (4)0.75000.0169 (8)
P20.03635 (13)0.75001.00000.0053 (2)
O20.0711 (4)0.4619 (4)0.75000.0171 (8)
P30.60769 (10)0.62612 (9)0.89837 (5)0.00688 (18)
O30.1770 (3)0.4834 (3)0.81800 (15)0.0164 (6)
O40.0641 (3)0.3407 (3)0.94850 (16)0.0159 (6)
O50.1357 (3)0.6526 (3)0.95246 (16)0.0147 (6)
O60.4391 (3)0.5871 (3)0.89610 (15)0.0132 (5)
O70.6852 (3)0.5524 (3)0.96277 (15)0.0163 (6)
O80.6245 (3)0.7866 (3)0.90189 (17)0.0177 (6)
O90.6802 (3)0.5740 (3)0.82518 (15)0.0170 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cs10.0319 (2)0.01503 (19)0.0267 (2)0.00488 (14)0.0000.000
Zr10.00625 (17)0.00477 (17)0.00416 (17)0.00025 (10)0.00008 (11)0.00026 (11)
P10.0068 (6)0.0074 (6)0.0054 (6)0.0013 (4)0.0000.000
Al10.0066 (7)0.0066 (7)0.0057 (7)0.0002 (5)0.0000.000
O10.020 (2)0.0068 (17)0.024 (2)0.0052 (15)0.0000.000
P20.0055 (5)0.0032 (5)0.0071 (6)0.0000.0000.0009 (4)
O20.0092 (18)0.0111 (18)0.031 (2)0.0026 (14)0.0000.000
P30.0088 (4)0.0074 (4)0.0044 (4)0.0022 (3)0.0001 (3)0.0003 (3)
O30.0211 (14)0.0217 (15)0.0064 (12)0.0059 (11)0.0046 (11)0.0001 (11)
O40.0128 (13)0.0167 (13)0.0181 (14)0.0080 (10)0.0013 (11)0.0017 (11)
O50.0172 (14)0.0106 (13)0.0163 (13)0.0055 (10)0.0004 (11)0.0030 (10)
O60.0101 (12)0.0138 (13)0.0158 (13)0.0042 (10)0.0007 (10)0.0016 (10)
O70.0179 (14)0.0214 (14)0.0097 (13)0.0009 (11)0.0044 (11)0.0024 (11)
O80.0168 (14)0.0101 (13)0.0261 (16)0.0058 (10)0.0033 (12)0.0006 (11)
O90.0225 (14)0.0201 (14)0.0085 (12)0.0031 (11)0.0073 (11)0.0043 (11)
Geometric parameters (Å, º) top
Cs1—O2i3.131 (4)P1—O21.531 (4)
Cs1—O63.149 (3)Al1—O1iii1.720 (4)
Cs1—O6ii3.149 (3)Al1—O9ii1.729 (3)
Cs1—O3ii3.178 (3)Al1—O91.729 (3)
Cs1—O33.178 (3)Al1—O2vii1.729 (4)
Cs1—O9iii3.330 (3)O1—Al1vi1.720 (4)
Cs1—O9iv3.330 (3)P2—O5viii1.525 (3)
Cs1—O93.607 (3)P2—O51.525 (3)
Cs1—O9ii3.607 (3)P2—O4i1.535 (3)
Cs1—O8ii3.657 (3)P2—O4ix1.535 (3)
Cs1—O83.658 (3)O2—Al1x1.729 (4)
Zr1—O52.038 (3)O2—Cs1xi3.131 (4)
Zr1—O42.045 (3)P3—O71.510 (3)
Zr1—O7v2.048 (3)P3—O81.517 (3)
Zr1—O62.085 (3)P3—O61.519 (3)
Zr1—O32.088 (3)P3—O91.540 (3)
Zr1—O8vi2.095 (3)O4—P2ix1.535 (3)
P1—O31.512 (3)O7—Zr1v2.048 (3)
P1—O3ii1.512 (3)O8—Zr1iii2.095 (3)
P1—O11.520 (4)O9—Cs1vi3.330 (3)
O2i—Cs1—O6120.31 (5)O7v—Zr1—O695.35 (11)
O2i—Cs1—O6ii120.31 (5)O5—Zr1—O389.94 (11)
O6—Cs1—O6ii113.07 (10)O4—Zr1—O388.25 (11)
O2i—Cs1—O3ii97.77 (9)O7v—Zr1—O3177.97 (11)
O6—Cs1—O3ii92.87 (7)O6—Zr1—O386.47 (11)
O6ii—Cs1—O3ii53.71 (7)O5—Zr1—O8vi176.76 (11)
O2i—Cs1—O397.77 (9)O4—Zr1—O8vi88.67 (11)
O6—Cs1—O353.72 (7)O7v—Zr1—O8vi89.43 (12)
O6ii—Cs1—O392.86 (7)O6—Zr1—O8vi87.19 (11)
O3ii—Cs1—O345.24 (10)O3—Zr1—O8vi89.78 (12)
O2i—Cs1—O9iii50.63 (8)O3—P1—O3ii107.9 (2)
O6—Cs1—O9iii97.33 (7)O3—P1—O1111.33 (14)
O6ii—Cs1—O9iii143.60 (7)O3ii—P1—O1111.33 (14)
O3ii—Cs1—O9iii147.42 (7)O3—P1—O2110.32 (14)
O3—Cs1—O9iii122.03 (7)O3ii—P1—O2110.32 (14)
O2i—Cs1—O9iv50.63 (8)O1—P1—O2105.7 (2)
O6—Cs1—O9iv143.60 (7)O1iii—Al1—O9ii115.13 (13)
O6ii—Cs1—O9iv97.33 (7)O1iii—Al1—O9115.13 (13)
O3ii—Cs1—O9iv122.03 (7)O9ii—Al1—O9102.9 (2)
O3—Cs1—O9iv147.42 (7)O1iii—Al1—O2vii110.1 (2)
O9iii—Cs1—O9iv47.90 (10)O9ii—Al1—O2vii106.39 (13)
O2i—Cs1—O9156.22 (5)O9—Al1—O2vii106.39 (13)
O6—Cs1—O942.14 (6)P1—O1—Al1vi152.6 (3)
O6ii—Cs1—O983.33 (7)O5viii—P2—O5110.5 (2)
O3ii—Cs1—O999.01 (7)O5viii—P2—O4i109.30 (15)
O3—Cs1—O982.43 (7)O5—P2—O4i108.76 (15)
O9iii—Cs1—O9109.28 (6)O5viii—P2—O4ix108.76 (15)
O9iv—Cs1—O9129.38 (6)O5—P2—O4ix109.30 (15)
O2i—Cs1—O9ii156.22 (5)O4i—P2—O4ix110.2 (2)
O6—Cs1—O9ii83.33 (7)P1—O2—Al1x144.6 (3)
O6ii—Cs1—O9ii42.14 (6)P1—O2—Cs1xi126.88 (19)
O3ii—Cs1—O9ii82.43 (7)Al1x—O2—Cs1xi88.48 (15)
O3—Cs1—O9ii99.01 (7)O7—P3—O8112.40 (17)
O9iii—Cs1—O9ii129.38 (6)O7—P3—O6110.18 (16)
O9iv—Cs1—O9ii109.28 (6)O8—P3—O6109.57 (16)
O9—Cs1—O9ii44.02 (8)O7—P3—O9108.93 (16)
O2i—Cs1—O8ii117.00 (6)O8—P3—O9108.18 (17)
O6—Cs1—O8ii120.11 (7)O6—P3—O9107.42 (16)
O6ii—Cs1—O8ii41.92 (6)O7—P3—Cs1167.35 (12)
O3ii—Cs1—O8ii95.48 (7)O8—P3—Cs176.81 (11)
O3—Cs1—O8ii132.06 (7)O6—P3—Cs157.51 (10)
O9iii—Cs1—O8ii105.73 (7)O9—P3—Cs174.73 (12)
O9iv—Cs1—O8ii70.42 (6)P1—O3—Zr1151.60 (18)
O9—Cs1—O8ii77.99 (6)P1—O3—Cs1101.64 (13)
O9ii—Cs1—O8ii39.86 (6)Zr1—O3—Cs1106.08 (10)
O2i—Cs1—O8117.00 (6)P2ix—O4—Zr1152.20 (18)
O6—Cs1—O841.92 (6)P2—O5—Zr1154.79 (18)
O6ii—Cs1—O8120.11 (7)P3—O6—Zr1153.56 (17)
O3ii—Cs1—O8132.06 (7)P3—O6—Cs198.47 (12)
O3—Cs1—O895.48 (7)Zr1—O6—Cs1107.16 (10)
O9iii—Cs1—O870.42 (6)P3—O7—Zr1v154.52 (19)
O9iv—Cs1—O8105.73 (7)P3—O8—Zr1iii150.87 (18)
O9—Cs1—O839.86 (6)P3—O8—Cs179.37 (11)
O9ii—Cs1—O877.99 (6)Zr1iii—O8—Cs1126.35 (11)
O8ii—Cs1—O896.60 (9)P3—O9—Al1150.4 (2)
O5—Zr1—O494.54 (11)P3—O9—Cs1vi127.23 (14)
O5—Zr1—O7v90.96 (11)Al1—O9—Cs1vi82.17 (11)
O4—Zr1—O7v89.87 (11)P3—O9—Cs180.94 (12)
O5—Zr1—O689.58 (11)Al1—O9—Cs197.16 (12)
O4—Zr1—O6173.30 (11)Cs1vi—O9—Cs1102.02 (7)
Symmetry codes: (i) x, y+1/2, z; (ii) x, y, z+3/2; (iii) x+1, y+1/2, z; (iv) x+1, y+1/2, z+3/2; (v) x+1, y+1, z+2; (vi) x+1, y1/2, z; (vii) x+1, y, z; (viii) x, y+3/2, z+2; (ix) x, y+1, z+2; (x) x1, y, z; (xi) x, y1/2, z.

Experimental details

Crystal data
Chemical formulaCsAlZr2(PO4)4
Mr722.21
Crystal system, space groupOrthorhombic, Pbcm
Temperature (K)293
a, b, c (Å)8.742 (2), 9.403 (3), 17.979 (3)
V3)1477.9 (6)
Z4
Radiation typeMo Kα
µ (mm1)4.41
Crystal size (mm)0.16 × 0.10 × 0.10
Data collection
DiffractometerRigaku Mercury70 CCD
diffractometer
Absorption correctionMulti-scan
(ABSCOR; Higashi, 1995)
Tmin, Tmax0.539, 0.667
No. of measured, independent and
observed [I > 2σ(I)] reflections
10513, 1751, 1696
Rint0.027
(sin θ/λ)max1)0.649
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.028, 0.068, 1.15
No. of reflections1751
No. of parameters117
Δρmax, Δρmin (e Å3)0.49, 1.79

Computer programs: CrystalClear (Rigaku, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009).

 

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds