Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
Rubidium trigallium bis(triphosphate), RbGa3(P3O10)2 has been synthesized by solid-state reaction and studied by single-crystal X-ray diffraction at room temperature. This compound is the first anhydrous gallium phosphate containing both GaO4 tetra­hedra (Ga1) and GaO6 octa­hedra (Ga2 and Ga3). The three independent Ga atoms are located on sites with imposed symmetry 2 (Wickoff positions 4a for Ga1 and 4b for Ga2 and Ga3). The GaO4 and GaO6 polyhedra are connected through the apices to triphosphate groups and form a three-dimensionnal host lattice. This framework presents inter­secting tunnels running along the [001] and <110> directions, where the Rb2+ cations are located on sites with imposed symmetry 2 (Wickoff position 4a). The structure also exhibits remarkable features, such as infinite helical columns created by the junction of GaO4 and PO4 tetra­hedra.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270105006888/iz1050sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270105006888/iz1050Isup2.hkl
Contains datablock I

Comment top

In the perspective of synthesizing original mixed frameworks, we have explored the A2O–M2O3–P2O5 pseudo-ternary system by solid-state reaction. M has been chosen to be a trivalent metal such as Al or Ga, which can present octahedral, tetrahedral or bipyramidal coordination, and A is a large alkaline cation such as Cs or Rb. Notably, such compounds can have applications as molecular sieves (Cheetham et al., 1999; Davis, 1997). Our previous experiments close to the cationic composition 10:30:60 for A:M:P led to the characterization of several new phases. In particular, for M = Al, two closely related original structures were discovered, according to the size of the cation, namely CsAl3(P3O10)2 and RbAl3(P3O10)2 (Lesage et al., 2005). The gallium analogue of the caesium aluminium compound has not been synthesized, since our experiments have produced the pentaphosphate, CsGa2P5O16 (Lesage et al., 2004). However, the structure of RbGa3(P3O10)2, isotypic with RbAl3(P3O10)2, is presented here.

The projections of the structure along c (Fig. 1) and [110] show that the Rb cation sits at the intersection of tunnels running along [001] and <110> in the [Ga3P6O20] three-dimensionnal framework. The latter is built from P3O10 triphosphate groups, sharing their corners with both GaO4 tetrahedra and GaO6 octahedra. More precisely, one can observe that the connection between triphosphate groups and GaO4 tetrahedra forms infinite isolated [GaP6O20] tetrahedral columns (Fig. 2). In fact, such columns can be decomposed in an elemental GaP6O22 helical pattern built up of GaO4 linked through the apices with two P3O10 triphosphate groups (Fig. 3). Their junction through the 21 screw axis parallel to c gives rise to two interlaced infinite helical chains of tetrahedra (Fig. 2). The entire framework results from the assembly of these helical tetrahedral columns through the GaO6 octahedra (Fig. 1).

The geometry of the P3O10 group is close to that commonly observed in other triphosphates (Averbuch-Pouchot & Durif, 1996). As expected, the average values for PO4 tetrahedra are 1.54 Å for P—O bonds and 109.3° for O—P—O angles. Moreover, two sets of distances can be distinguished, since the P—O bonds corresponding to the two P—O—P bridges of the P3O10 group are significantly larger [1.591 (3)–1.632 (2) Å] than the other P—O bonds [1.485 (2)–1.540 (3) Å]. The geometries of GaO4 and GaO6 polyhedra are rather regular, with Ga—O distances of 1.793 (2) and 1.830 (2) Å for GaO4, and ranging from 1.919 (2) to 1.981 (2) Å for GaO6. Finally, the Rb cation is surrounded by eight O atoms, with distances ranging from 2.9764 (15) to 3.269 (2) Å. These distances are also in agreement with bond valence sum calculations (Brese & O'Keeffe, 1991), as reported in Table 1, since the Rb, Ga and P cations and O anions have calculated valences close to the theoretical values (1, 3, 5 and 2, respectively).

The Rb—O distances are very similar in the two isotypic structures, since they range from 2.958 (3) to 3.306 (2) Å for RbAl3(P3O10)2. However, a significant variation in the cell volume of the two phases is observed [1579.42 (17) Å3 for RbGa3(P3O10)2, compared with 1516.75 (18) Å3 for RbAl3(P3O10)2]. This is in agreement with the increase of the ionic radius of the corresponding trivalent element. This is also evidenced by examination of the Ga—O distances, which are indeed significantly larger than the Al—O distances [1.715 (3)–1.746 (2) Å in AlO4 and 1.847 (3)–1.911 (3) Å in AlO6].

The triphosphate groups show a close geometry in the two isotypic compounds, with average P—P distances of 2.858 Å and 2.845 Å, respectively, and a P—P—P angle of 126.24° and 126.32°, respectively (Table 2). This geometry is induced by the fact that the P2O7 group belonging to the triphosphate shares two apices with the same GaO6 octahedron in these phases, as discussed by Lesage et al. (2005) for AAl3(P3O10)2 (A = Cs or Rb) structures (Fig. 3).

RbGa3(P3O10)2 is the second gallium triphosphate after Cs2GaP3O10 (Guesdon et al., 2002) to be synthesized by a solid-state reaction, i.e. not containing H atoms. Furthermore, it is worth mentioning that it is the first gallium phosphate prepared in this way which presents two types of coordination for Ga in the same structure.

Experimental top

The single-crystal used for the determination of RbGa3(P3O10)2 was extracted from a preparation of nominal composition Rb3Ga5P12O39, synthesized in two steps. First, RbNO3 (Chempur, 99.9%), Ga2O3 (Alfa Aesar, 99.9%) and (NH4)2HPO4 (Prolabo Normapur, 99.5%) were mixed in an agate mortar. This whitish mixture was placed in a platinum crucible and heated in air at about 770 K for a few hours until the correct weight loss was reached, i.e. when RbNO3 and (NH4)2HPO4 had decomposed. The resulting powder was finely ground a second time in an agate mortar and placed in a silica tube, which was then evacuated and sealed. The silica tube was heated at 1103 K for 20 h before being slowly cooled at 1 K h−1 down to 1063 K, then at 10 K h−1 down to 863 K. A white powder containing small colourless crystals was thus obtained. Semi-quantitative analysis of a colourless crystal extracted from the preparation was performed with an Oxford 6650 microprobe mounted on a Philips XL30 FEG scanning electron microscope. The cationic composition obtained was in agreement with the expected theoretical value of 10:30:60 for the Rb, Ga and P cations, respectively. Several crystals were then optically selected for testing. Three crystals were studied. The structure was determined using the heavy-atom method and successive difference synthesis and Fourier synthesis for the first crystal, then starting from the data previously determined for the other two crystals. The existence conditions hkl: h + k = 2n and 00l: l = 2n are consistent with the non-centrosymmetric space group C2221 (n°20) [Not expected nomenclature - please check]. As a consequence, the compound may adopt two enantiomorphic structures. Structure determinations and refinements showed that one of the crystals studied is a pure enantiomorph, whereas the other two are twinned by inversion. We present here only the results for the pure enantiomorph. The Flack parameter (Flack & Bernardinelli, 1999) was refined to −0.009 (7). For the other two crystals, the results of which are not presented here, the Flack parameter is close to 0.5. The harmonic displacement parameters also have significantly higher values in the twinned crystals than in the pure one, with Uiso,eq 0.02 Å2 instead of 0.01 Å2 for the O atoms.

Computing details top

Data collection: EVALCCD (Duisenberg et al., 2003); cell refinement: EVALCCD (Duisenberg et al., 2003); data reduction: Jana2000 (Petricek and Dusek, 2000); program(s) used to solve structure: Jana2000 (Petricek and Dusek, 2000); program(s) used to refine structure: Jana2000 (Petricek and Dusek, 2000); molecular graphics: Diamond version 2.1e (Brandenburg, 2001); software used to prepare material for publication: Jana2000 (Petricek and Dusek, 2000).

Figures top
[Figure 1] Fig. 1. A projection of RbGa3(P3O10)2 along c.
[Figure 2] Fig. 2. A perspective view of an isolated [GaP6O20] tetrahedral column. One GaP6O22 helical elemental pattern is highlighted by bold lines.
[Figure 3] Fig. 3. A perspective view of one GaP6O22 helical elemental pattern (black lines) linked to two GaO6 octahedra (white lines). For clarity, only one triphosphate group has been labelled. Displacement ellipsoids are drawn at the 70% probability level. [Symmetry codes: (vi) 1/2 − x, 1/2 + y, 1/2 − z; (viii) 1 − x, y, 1/2 − z; (ix) 1/2 + x, 1/2 + y, z; (x) 1/2 − x, 1/2 − y, 1/2 + z; (xi) 1 − x, 1 − y, 1/2 + z. Please clarify - the codes given in the figure are (i), (ii), (iii), (iv) and (v).]
rubidium trigallium bis(triphosphate) top
Crystal data top
RbGa3(P3O10)2F(000) = 1520
Mr = 800.5Dx = 3.365 Mg m3
Orthorhombic, C2221Mo Kα radiation, λ = 0.71069 Å
Hall symbol: C 2c 2Cell parameters from 14620 reflections
a = 10.0017 (8) Åθ = 6.0–42.0°
b = 13.0822 (8) ŵ = 8.88 mm1
c = 12.0710 (4) ÅT = 298 K
V = 1579.42 (17) Å3Polyhedra, colourless
Z = 40.08 × 0.06 × 0.05 mm
Data collection top
Nonius CCD area-detector
diffractometer
5415 independent reflections
Radiation source: fine-focus sealed X-ray tube2778 reflections with I > 3σ(I)
Graphite monochromatorRint = 0.088
Detector resolution: 9.09 pixels mm-1θmax = 42.0°, θmin = 6.0°
ϕ and ω scansh = 1818
Absorption correction: gaussian
(JANA2000; Petříček & Dušek, 2000)
k = 2424
Tmin = 0.703, Tmax = 0.849l = 2219
14620 measured reflections
Refinement top
Refinement on FWeighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
R[F2 > 2σ(F2)] = 0.035(Δ/σ)max = 0.0004
wR(F2) = 0.034Δρmax = 1.36 e Å3
S = 0.90Δρmin = 1.24 e Å3
5415 reflectionsAbsolute structure: Flack and Bernardinelli (1999), 2364 Friedel pairs
139 parametersAbsolute structure parameter: 0.009 (7)
Crystal data top
RbGa3(P3O10)2V = 1579.42 (17) Å3
Mr = 800.5Z = 4
Orthorhombic, C2221Mo Kα radiation
a = 10.0017 (8) ŵ = 8.88 mm1
b = 13.0822 (8) ÅT = 298 K
c = 12.0710 (4) Å0.08 × 0.06 × 0.05 mm
Data collection top
Nonius CCD area-detector
diffractometer
5415 independent reflections
Absorption correction: gaussian
(JANA2000; Petříček & Dušek, 2000)
2778 reflections with I > 3σ(I)
Tmin = 0.703, Tmax = 0.849Rint = 0.088
14620 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.035Δρmax = 1.36 e Å3
wR(F2) = 0.034Δρmin = 1.24 e Å3
S = 0.90Absolute structure: Flack and Bernardinelli (1999), 2364 Friedel pairs
5415 reflectionsAbsolute structure parameter: 0.009 (7)
139 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rb10.47254 (5)00.50.02601 (15)
Ga10.13548 (4)000.00854 (12)
Ga20.50.25501 (3)0.250.00550 (11)
Ga300.29389 (3)0.250.00649 (11)
P10.05518 (7)0.20469 (6)0.48826 (7)0.00646 (18)
P20.23061 (7)0.13610 (6)0.31723 (6)0.00584 (18)
P30.23825 (7)0.06473 (6)0.22343 (6)0.00584 (19)
O10.0339 (2)0.11134 (17)0.47918 (19)0.0168 (7)
O20.0796 (2)0.24184 (18)0.60341 (17)0.0105 (6)
O30.0147 (2)0.29005 (15)0.41175 (16)0.0091 (5)
O40.1994 (2)0.16421 (17)0.44281 (17)0.0098 (6)
O50.3780 (2)0.14535 (16)0.30075 (17)0.0089 (6)
O60.1408 (2)0.19230 (15)0.24000 (18)0.0094 (5)
O70.19002 (19)0.01837 (15)0.31429 (17)0.0096 (5)
O80.25546 (19)0.00520 (18)0.11425 (15)0.0095 (5)
O90.1292 (2)0.14057 (17)0.20867 (17)0.0123 (6)
O100.3701 (2)0.09922 (16)0.2664 (2)0.0122 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rb10.0228 (2)0.0222 (2)0.0329 (3)000.0052 (2)
Ga10.00916 (19)0.0086 (2)0.0079 (2)000.00030 (17)
Ga20.00598 (18)0.00624 (18)0.00427 (19)00.00015 (17)0
Ga30.00625 (19)0.00669 (18)0.0065 (2)00.00102 (18)0
P10.0076 (3)0.0071 (3)0.0047 (4)0.0007 (2)0.0007 (3)0.0002 (3)
P20.0062 (3)0.0056 (3)0.0057 (3)0.0005 (3)0.0008 (3)0.0008 (3)
P30.0062 (3)0.0044 (3)0.0069 (4)0.0001 (2)0.0004 (2)0.0007 (3)
O10.0210 (11)0.0167 (11)0.0127 (13)0.0091 (9)0.0016 (9)0.0008 (9)
O20.0128 (10)0.0159 (11)0.0029 (10)0.0022 (8)0.0010 (7)0.0030 (9)
O30.0107 (10)0.0099 (8)0.0066 (9)0.0038 (9)0.0005 (8)0.0008 (7)
O40.0116 (10)0.0130 (10)0.0047 (10)0.0036 (8)0.0008 (8)0.0012 (8)
O50.0067 (9)0.0089 (10)0.0113 (11)0.0001 (8)0.0008 (8)0.0004 (8)
O60.0117 (9)0.0120 (9)0.0043 (10)0.0059 (7)0.0009 (8)0.0001 (9)
O70.0133 (9)0.0053 (9)0.0102 (10)0.0021 (7)0.0045 (7)0.0025 (8)
O80.0100 (8)0.0116 (10)0.0069 (9)0.0037 (8)0.0004 (7)0.0037 (8)
O90.0135 (10)0.0106 (10)0.0129 (11)0.0071 (8)0.0039 (9)0.0029 (8)
O100.0098 (9)0.0123 (9)0.0147 (13)0.0032 (7)0.0036 (8)0.0024 (8)
Geometric parameters (Å, º) top
Rb1—O3i2.9764 (15)Ga3—O31.959 (2)
Rb1—O3ii2.9764 (15)Ga3—O3vii1.959 (2)
Rb1—O53.208 (3)Ga3—O61.9401 (17)
Rb1—O5iii3.208 (3)Ga3—O6vii1.9401 (17)
Rb1—O8iv3.051 (2)Ga3—O10xii1.919 (2)
Rb1—O8v3.051 (2)Ga3—O10xi1.919 (2)
Rb1—O103.269 (2)P1—O11.516 (3)
Rb1—O10iii3.269 (2)P1—O21.492 (3)
Ga1—O1vi1.793 (2)P1—O31.504 (2)
Ga1—O1vii1.793 (2)P1—O41.632 (2)
Ga1—O81.830 (2)P2—O41.591 (3)
Ga1—O8viii1.830 (2)P2—O51.492 (2)
Ga2—O2ix1.941 (2)P2—O61.489 (2)
Ga2—O2ii1.941 (2)P2—O71.593 (3)
Ga2—O51.981 (2)P3—O71.618 (3)
Ga2—O5v1.981 (2)P3—O81.540 (3)
Ga2—O9x1.945 (2)P3—O91.485 (2)
Ga2—O9xi1.945 (2)P3—O101.487 (2)
O3i—Rb1—O3ii163.71 (6)O2ii—Ga2—O5v92.59 (10)
O3i—Rb1—O5108.70 (6)O2ii—Ga2—O9x86.91 (10)
O3i—Rb1—O5iii76.29 (6)O2ii—Ga2—O9xi91.36 (10)
O3i—Rb1—O8iv93.21 (6)O5—Ga2—O5v87.15 (10)
O3i—Rb1—O8v72.02 (6)O5—Ga2—O9x175.68 (9)
O3i—Rb1—O1050.90 (6)O5—Ga2—O9xi91.15 (10)
O3i—Rb1—O10iii136.01 (6)O5v—Ga2—O587.15 (10)
O3ii—Rb1—O3i163.71 (6)O5v—Ga2—O9x91.15 (10)
O3ii—Rb1—O576.29 (6)O5v—Ga2—O9xi175.68 (9)
O3ii—Rb1—O5iii108.70 (6)O9x—Ga2—O9xi90.81 (10)
O3ii—Rb1—O8iv72.02 (6)O9xi—Ga2—O9x90.81 (10)
O3ii—Rb1—O8v93.21 (6)O3—Ga3—O3vii177.02 (6)
O3ii—Rb1—O10136.01 (6)O3—Ga3—O689.41 (9)
O3ii—Rb1—O10iii50.90 (6)O3—Ga3—O6vii88.55 (9)
O5—Rb1—O5iii145.71 (5)O3—Ga3—O10xii88.10 (9)
O5—Rb1—O8iv126.06 (6)O3—Ga3—O10xi94.07 (9)
O5—Rb1—O8v86.39 (6)O3vii—Ga3—O3177.02 (6)
O5—Rb1—O1059.75 (6)O3vii—Ga3—O688.55 (9)
O5—Rb1—O10iii108.60 (6)O3vii—Ga3—O6vii89.41 (9)
O5iii—Rb1—O5145.71 (5)O3vii—Ga3—O10xii94.07 (9)
O5iii—Rb1—O8iv86.39 (6)O3vii—Ga3—O10xi88.10 (9)
O5iii—Rb1—O8v126.06 (6)O6—Ga3—O6vii93.52 (7)
O5iii—Rb1—O10108.60 (6)O6—Ga3—O10xii175.57 (9)
O5iii—Rb1—O10iii59.75 (6)O6—Ga3—O10xi90.08 (8)
O8iv—Rb1—O8v53.85 (6)O6vii—Ga3—O693.52 (7)
O8iv—Rb1—O10132.72 (6)O6vii—Ga3—O10xii90.08 (8)
O8iv—Rb1—O10iii83.14 (6)O6vii—Ga3—O10xi175.57 (9)
O8v—Rb1—O8iv53.85 (6)O10xii—Ga3—O10xi86.44 (10)
O8v—Rb1—O1083.14 (6)O10xi—Ga3—O10xii86.44 (10)
O8v—Rb1—O10iii132.72 (6)O1—P1—O2115.18 (14)
O10—Rb1—O10iii143.47 (5)O1—P1—O3113.30 (12)
O10iii—Rb1—O10143.47 (5)O1—P1—O4103.51 (13)
O1vi—Ga1—O1vii110.97 (10)O2—P1—O3111.98 (13)
O1vi—Ga1—O8116.55 (11)O2—P1—O4105.91 (12)
O1vi—Ga1—O8viii107.23 (11)O3—P1—O4105.82 (13)
O1vii—Ga1—O1vi110.97 (10)O4—P2—O5107.57 (13)
O1vii—Ga1—O8107.23 (11)O4—P2—O6111.36 (13)
O1vii—Ga1—O8viii116.55 (11)O4—P2—O7101.22 (13)
O8—Ga1—O8viii98.02 (10)O5—P2—O6118.23 (13)
O8viii—Ga1—O898.02 (10)O5—P2—O7109.08 (13)
O2ix—Ga2—O2ii177.54 (11)O6—P2—O7108.04 (11)
O2ix—Ga2—O592.59 (10)O7—P3—O8105.86 (14)
O2ix—Ga2—O5v89.20 (10)O7—P3—O9108.13 (13)
O2ix—Ga2—O9x91.36 (10)O7—P3—O10103.40 (13)
O2ix—Ga2—O9xi86.91 (10)O8—P3—O9108.53 (13)
O2ii—Ga2—O2ix177.54 (11)O8—P3—O10110.63 (13)
O2ii—Ga2—O589.20 (10)O9—P3—O10119.36 (14)
Symmetry codes: (i) x+1/2, y1/2, z; (ii) x+1/2, y+1/2, z+1; (iii) x, y, z+1; (iv) x+1, y, z+1/2; (v) x+1, y, z+1/2; (vi) x, y, z1/2; (vii) x, y, z+1/2; (viii) x, y, z; (ix) x+1/2, y+1/2, z1/2; (x) x+1/2, y+1/2, z; (xi) x+1/2, y+1/2, z+1/2; (xii) x1/2, y+1/2, z.

Experimental details

Crystal data
Chemical formulaRbGa3(P3O10)2
Mr800.5
Crystal system, space groupOrthorhombic, C2221
Temperature (K)298
a, b, c (Å)10.0017 (8), 13.0822 (8), 12.0710 (4)
V3)1579.42 (17)
Z4
Radiation typeMo Kα
µ (mm1)8.88
Crystal size (mm)0.08 × 0.06 × 0.05
Data collection
DiffractometerNonius CCD area-detector
diffractometer
Absorption correctionGaussian
(JANA2000; Petříček & Dušek, 2000)
Tmin, Tmax0.703, 0.849
No. of measured, independent and
observed [I > 3σ(I)] reflections
14620, 5415, 2778
Rint0.088
(sin θ/λ)max1)0.941
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.034, 0.90
No. of reflections5415
No. of parameters139
No. of restraints?
Δρmax, Δρmin (e Å3)1.36, 1.24
Absolute structureFlack and Bernardinelli (1999), 2364 Friedel pairs
Absolute structure parameter0.009 (7)

Computer programs: EVALCCD (Duisenberg et al., 2003), Jana2000 (Petricek and Dusek, 2000), Diamond version 2.1e (Brandenburg, 2001).

Selected bond lengths (Å) top
Rb1—O3i2.9764 (15)P1—O11.516 (3)
Rb1—O53.208 (3)P1—O21.492 (3)
Rb1—O8ii3.051 (2)P1—O31.504 (2)
Rb1—O103.269 (2)P1—O41.632 (2)
Ga1—O1iii1.793 (2)P2—O41.591 (3)
Ga1—O81.830 (2)P2—O51.492 (2)
Ga2—O2iv1.941 (2)P2—O61.489 (2)
Ga2—O51.981 (2)P2—O71.593 (3)
Ga2—O9v1.945 (2)P3—O71.618 (3)
Ga3—O31.959 (2)P3—O81.540 (3)
Ga3—O61.9401 (17)P3—O91.485 (2)
Ga3—O10vi1.919 (2)P3—O101.487 (2)
Symmetry codes: (i) x+1/2, y1/2, z; (ii) x+1, y, z+1/2; (iii) x, y, z1/2; (iv) x+1/2, y+1/2, z1/2; (v) x+1/2, y+1/2, z; (vi) x1/2, y+1/2, z.
Bond valence sum calculations for RbGa3(P3O10)2 top
Rb1Ga1Ga2Ga3P1P2P3Σ(ν-)
O10.8431.2692.11
0.843
O20.5651.3541.92
0.565
O30.1440.5391.3101.99
0.1440.539
O40.9271.0361.96
O50.0770.5071.3541.94
0.0770.507
O60.5671.3651.93
0.567
O71.0300.9631.99
O80.1180.7631.1892.07
0.1180.763
O90.5591.3791.94
0.559
O100.0650.6001.3722.04
0.0650.600
Σ(ν+)0.813.213.263.414.864.784.90
Comparison of the geometry of the P3O10 triphosphate groups in RbGa3(P3O10)2 and RbAl3(P3O10)2. top
RbGa3(P3O10)2aRbAl3(P3O10)2b
P1—P2 (Å)2.8541 (11)2.8344 (11)
P2—P3vii (Å)2.8619 (11)2.8556 (12)
P1—P2—P3vii (°)126.24 (3)126.32 (4)
Notes: (a) this work; (b) Lesage et al. (2005). Symmetry code: (vii) 1/2 − x, −1/2 + y, 1/2 − z.
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

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