inorganic compounds
1.65Pb0.35)Al6O11
of the (SraInstitute for Chemical Technologies and Analytics, Division of Structural Chemistry, Vienna University of Technology, Getreidemarkt 9/164-SC, A-1060 Vienna, Austria
*Correspondence e-mail: mweil@mail.zserv.tuwien.ac.at
The title compound, di(strontium/lead) hexaaluminate, is a member of the 2-xPbx)Al6O11. It contains two statistically occupied M2+ (M = Sr, Pb) sites [both with site symmetries ..m; Sr:Pb occupancy ratios = 0.756 (2):0.244 (2) and 0.8968 (19):0.1032 (19)] that are located in the voids of an aluminate framework. The M2+ sites are surrounded by six and seven O atoms, respectively, if a cut-off M—O distance of 3 Å is chosen, resulting in considerably distorted MOx polyhedra. The aluminate framework consists of three AlO6 octahedra (two with point-group symmetries ..2/m and one with ..2) sharing edges to form partially filled layers extending parallel to (100) and located at x = 0, 0.5. Adjacent AlO6 layers are linked by a network made up from two crystallographically different AlO4 tetrahedra by sharing corners.
series (SrKeywords: crystal structure; solid solution; aluminate framework.
CCDC reference: 1004262
1. Related literature
The title compound was obtained during experiments to prepare the strontium analogue of the lead calcium aluminate PbCa2Al8O15 (Artner & Weil, 2012). For another member of the isotypic series (Sr2-xPbx)Al6O11 with a different Sr:Pb ratio, see: Plötz & Müller-Buschbaum (1982).
2. Experimental
2.1. Crystal data
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2.3. Refinement
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Data collection: SMART (Bruker, 2008); cell SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS for Windows (Dowty, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).
Supporting information
CCDC reference: 1004262
10.1107/S1600536814010216/hb0009sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536814010216/hb0009Isup2.hkl
A mixture of 2PbCO3.Pb(OH)2, SrCO3 and Al(OH)3 (molar ratio 1:6:24) was heated in a platinum crucible over a period of 24 h to 1233 K, kept at this temperature for 10 h and cooled over a period of 24 h to room temperature. A few colourless platy crystals of the title compound grew on top of a brick-red microcrystalline matrix that was not further analysed.
Atom labels and starting parameters for
were taken from the isotypic compound (Sr1.33Pb0.67)Al6O11 (Plötz & Müller-Buschbaum, 1982). The two M2+ sites are statistically occupied by Pb and Sr. For each site, full occupancy was considered and the occupancy factors refined independently. The highest and lowest remaining electron densities are located 0.64 Å and 0.72 Å, respectively, from the site (Sr1/Pb1).Data collection: SMART (Bruker, 2008); cell
SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS for Windows (Dowty, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).(Sr1.65Pb0.35)Al6O11 | F(000) = 1030 |
Mr = 555.27 | Dx = 4.084 Mg m−3 |
Orthorhombic, Pnnm | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2 2n | Cell parameters from 3598 reflections |
a = 22.0299 (4) Å | θ = 3.7–32.5° |
b = 4.8802 (1) Å | µ = 16.94 mm−1 |
c = 8.3995 (2) Å | T = 296 K |
V = 903.03 (3) Å3 | Plate, colourless |
Z = 4 | 0.12 × 0.05 × 0.05 mm |
Bruker SMART CCD diffractometer | 2509 independent reflections |
Radiation source: fine-focus sealed tube | 2190 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.042 |
ω scans | θmax = 37.5°, θmin = 3.7° |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | h = −30→37 |
Tmin = 0.236, Tmax = 0.485 | k = −6→8 |
10434 measured reflections | l = −14→9 |
Refinement on F2 | Primary atom site location: isomorphous structure methods |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0244P)2 + 0.7036P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.027 | (Δ/σ)max = 0.001 |
wR(F2) = 0.061 | Δρmax = 1.12 e Å−3 |
S = 1.05 | Δρmin = −1.51 e Å−3 |
2509 reflections | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
101 parameters | Extinction coefficient: 0.0022 (3) |
0 restraints |
(Sr1.65Pb0.35)Al6O11 | V = 903.03 (3) Å3 |
Mr = 555.27 | Z = 4 |
Orthorhombic, Pnnm | Mo Kα radiation |
a = 22.0299 (4) Å | µ = 16.94 mm−1 |
b = 4.8802 (1) Å | T = 296 K |
c = 8.3995 (2) Å | 0.12 × 0.05 × 0.05 mm |
Bruker SMART CCD diffractometer | 2509 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2008) | 2190 reflections with I > 2σ(I) |
Tmin = 0.236, Tmax = 0.485 | Rint = 0.042 |
10434 measured reflections |
R[F2 > 2σ(F2)] = 0.027 | 101 parameters |
wR(F2) = 0.061 | 0 restraints |
S = 1.05 | Δρmax = 1.12 e Å−3 |
2509 reflections | Δρmin = −1.51 e Å−3 |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | 0.364795 (11) | 0.12254 (4) | 0.0000 | 0.01369 (7) | 0.756 (2) |
Pb2 | 0.155369 (11) | 0.54620 (5) | 0.0000 | 0.01112 (8) | 0.8968 (19) |
Sr1 | 0.364795 (11) | 0.12254 (4) | 0.0000 | 0.01369 (7) | 0.244 (2) |
Sr2 | 0.155369 (11) | 0.54620 (5) | 0.0000 | 0.01112 (8) | 0.1032 (19) |
Al1 | 0.0000 | 0.0000 | 0.5000 | 0.00496 (19) | |
Al2 | 0.0000 | 0.5000 | 0.0000 | 0.00509 (19) | |
Al3 | 0.0000 | 0.5000 | 0.66773 (9) | 0.00472 (14) | |
Al4 | 0.21348 (3) | 0.11886 (11) | 0.29528 (7) | 0.00638 (12) | |
Al5 | 0.07460 (3) | 0.00878 (11) | 0.17903 (6) | 0.00472 (11) | |
O1 | 0.05605 (9) | 0.8271 (4) | 0.0000 | 0.0055 (3) | |
O2 | 0.29866 (14) | 0.5677 (5) | 0.0000 | 0.0197 (5) | |
O3 | 0.45181 (6) | 0.3230 (3) | 0.84219 (15) | 0.0060 (2) | |
O4 | 0.34669 (7) | 0.4960 (3) | 0.31766 (19) | 0.0118 (3) | |
O5 | 0.45552 (9) | 0.8297 (4) | 0.0000 | 0.0055 (3) | |
O6 | 0.95192 (6) | 0.6515 (3) | 0.83661 (15) | 0.0062 (2) | |
O7 | 0.28328 (7) | 0.9728 (3) | 0.24121 (19) | 0.0117 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.01691 (12) | 0.01109 (9) | 0.01306 (9) | 0.00260 (7) | 0.000 | 0.000 |
Pb2 | 0.00748 (12) | 0.01603 (12) | 0.00985 (10) | 0.00238 (8) | 0.000 | 0.000 |
Sr1 | 0.01691 (12) | 0.01109 (9) | 0.01306 (9) | 0.00260 (7) | 0.000 | 0.000 |
Sr2 | 0.00748 (12) | 0.01603 (12) | 0.00985 (10) | 0.00238 (8) | 0.000 | 0.000 |
Al1 | 0.0059 (5) | 0.0041 (4) | 0.0049 (4) | −0.0004 (4) | 0.000 | 0.000 |
Al2 | 0.0039 (5) | 0.0070 (4) | 0.0044 (4) | 0.0012 (4) | 0.000 | 0.000 |
Al3 | 0.0043 (3) | 0.0048 (3) | 0.0050 (3) | 0.0001 (2) | 0.000 | 0.000 |
Al4 | 0.0049 (3) | 0.0067 (2) | 0.0075 (2) | −0.00021 (18) | −0.00054 (18) | 0.00025 (16) |
Al5 | 0.0035 (2) | 0.0052 (2) | 0.0054 (2) | −0.00008 (18) | 0.00009 (17) | 0.00014 (16) |
O1 | 0.0041 (8) | 0.0060 (7) | 0.0063 (7) | −0.0011 (6) | 0.000 | 0.000 |
O2 | 0.0319 (15) | 0.0187 (10) | 0.0086 (8) | 0.0063 (10) | 0.000 | 0.000 |
O3 | 0.0058 (6) | 0.0064 (5) | 0.0058 (5) | 0.0007 (4) | −0.0006 (4) | 0.0001 (4) |
O4 | 0.0046 (6) | 0.0151 (6) | 0.0157 (6) | −0.0009 (5) | −0.0023 (5) | 0.0065 (5) |
O5 | 0.0065 (8) | 0.0045 (7) | 0.0055 (6) | −0.0002 (6) | 0.000 | 0.000 |
O6 | 0.0058 (6) | 0.0063 (5) | 0.0065 (5) | 0.0013 (4) | −0.0007 (4) | 0.0000 (4) |
O7 | 0.0067 (6) | 0.0087 (6) | 0.0196 (7) | 0.0000 (5) | −0.0011 (5) | −0.0016 (5) |
Pb1—O5i | 2.4569 (19) | Al1—O3vii | 1.9055 (13) |
Pb1—O3ii | 2.5275 (13) | Al1—O3xv | 1.9055 (13) |
Pb1—O3iii | 2.5275 (13) | Al2—O6xi | 1.8847 (13) |
Pb1—O2 | 2.616 (3) | Al2—O6xvi | 1.8847 (13) |
Pb1—O7iv | 2.8042 (16) | Al2—O6xvii | 1.8847 (13) |
Pb1—O7i | 2.8042 (16) | Al2—O6x | 1.8847 (13) |
Pb1—O2i | 3.075 (3) | Al2—O1 | 2.0181 (19) |
Pb1—O4 | 3.2558 (17) | Al2—O1xviii | 2.0181 (19) |
Pb1—O4v | 3.2558 (17) | Al3—O3xv | 1.9021 (13) |
Pb2—O1 | 2.582 (2) | Al3—O3xix | 1.9021 (13) |
Pb2—O7vi | 2.5846 (16) | Al3—O5xx | 1.9067 (14) |
Pb2—O7vii | 2.5846 (16) | Al3—O5vi | 1.9067 (14) |
Pb2—O4viii | 2.6771 (15) | Al3—O6xxi | 1.9186 (14) |
Pb2—O4ix | 2.6771 (15) | Al3—O6xxii | 1.9186 (14) |
Pb2—O6x | 2.8983 (14) | Al4—O4vi | 1.7368 (16) |
Pb2—O6xi | 2.8983 (14) | Al4—O7i | 1.7548 (17) |
Pb2—O4vii | 3.0914 (17) | Al4—O7vi | 1.7556 (16) |
Pb2—O4vi | 3.0914 (17) | Al4—O2vi | 1.7581 (8) |
Pb2—O2 | 3.158 (3) | Al5—O4vi | 1.7352 (16) |
Al1—O5xii | 1.8841 (18) | Al5—O3vii | 1.7433 (14) |
Al1—O5vi | 1.8841 (18) | Al5—O6xi | 1.7627 (14) |
Al1—O3xiii | 1.9055 (13) | Al5—O1i | 1.7929 (11) |
Al1—O3xiv | 1.9055 (13) | ||
O5i—Pb1—O3ii | 66.93 (5) | O6xvii—Al2—O6x | 180.0 |
O5i—Pb1—O3iii | 66.93 (5) | O6xi—Al2—O1 | 88.08 (5) |
O3ii—Pb1—O3iii | 63.26 (6) | O6xvi—Al2—O1 | 91.92 (5) |
O5i—Pb1—O2 | 159.41 (8) | O6xvii—Al2—O1 | 91.92 (5) |
O3ii—Pb1—O2 | 95.80 (6) | O6x—Al2—O1 | 88.08 (5) |
O3iii—Pb1—O2 | 95.80 (6) | O6xi—Al2—O1xviii | 91.92 (5) |
O5i—Pb1—O7iv | 111.67 (4) | O6xvi—Al2—O1xviii | 88.08 (5) |
O3ii—Pb1—O7iv | 164.89 (4) | O6xvii—Al2—O1xviii | 88.08 (5) |
O3iii—Pb1—O7iv | 101.98 (4) | O6x—Al2—O1xviii | 91.92 (5) |
O2—Pb1—O7iv | 81.94 (5) | O1—Al2—O1xviii | 180.0 |
O5i—Pb1—O7i | 111.67 (4) | O3xv—Al3—O3xix | 174.98 (9) |
O3ii—Pb1—O7i | 101.98 (4) | O3xv—Al3—O5xx | 92.40 (7) |
O3iii—Pb1—O7i | 164.89 (4) | O3xix—Al3—O5xx | 83.88 (7) |
O2—Pb1—O7i | 81.94 (5) | O3xv—Al3—O5vi | 83.88 (7) |
O7iv—Pb1—O7i | 92.52 (6) | O3xix—Al3—O5vi | 92.40 (7) |
O5i—Pb1—O2i | 82.72 (7) | O5xx—Al3—O5vi | 84.72 (9) |
O3ii—Pb1—O2i | 134.44 (5) | O3xv—Al3—O6xxi | 91.22 (6) |
O3iii—Pb1—O2i | 134.44 (5) | O3xix—Al3—O6xxi | 92.49 (6) |
O2—Pb1—O2i | 117.87 (11) | O5xx—Al3—O6xxi | 176.38 (7) |
O7iv—Pb1—O2i | 57.79 (4) | O5vi—Al3—O6xxi | 95.43 (6) |
O7i—Pb1—O2i | 57.79 (4) | O3xv—Al3—O6xxii | 92.49 (6) |
O5i—Pb1—O4 | 115.16 (3) | O3xix—Al3—O6xxii | 91.22 (6) |
O3ii—Pb1—O4 | 56.39 (4) | O5xx—Al3—O6xxii | 95.43 (6) |
O3iii—Pb1—O4 | 107.82 (4) | O5vi—Al3—O6xxii | 176.38 (7) |
O2—Pb1—O4 | 57.78 (3) | O6xxi—Al3—O6xxii | 84.65 (9) |
O7iv—Pb1—O4 | 131.27 (4) | O4vi—Al4—O7i | 112.79 (8) |
O7i—Pb1—O4 | 58.36 (4) | O4vi—Al4—O7vi | 105.98 (8) |
O2i—Pb1—O4 | 115.78 (3) | O7i—Al4—O7vi | 108.60 (6) |
O5i—Pb1—O4v | 115.16 (3) | O4vi—Al4—O2vi | 111.66 (11) |
O3ii—Pb1—O4v | 107.82 (4) | O7i—Al4—O2vi | 109.19 (12) |
O3iii—Pb1—O4v | 56.39 (4) | O7vi—Al4—O2vi | 108.46 (10) |
O2—Pb1—O4v | 57.78 (3) | O4vi—Al5—O3vii | 107.59 (8) |
O7iv—Pb1—O4v | 58.36 (4) | O4vi—Al5—O6xi | 111.47 (7) |
O7i—Pb1—O4v | 131.27 (4) | O3vii—Al5—O6xi | 115.93 (7) |
O2i—Pb1—O4v | 115.78 (3) | O4vi—Al5—O1i | 102.91 (8) |
O4—Pb1—O4v | 110.07 (5) | O3vii—Al5—O1i | 109.03 (7) |
O1—Pb2—O7vi | 121.11 (4) | O6xi—Al5—O1i | 109.09 (7) |
O1—Pb2—O7vii | 121.11 (4) | Al5xxiii—O1—Al5xxiv | 114.01 (10) |
O7vi—Pb2—O7vii | 114.50 (7) | Al5xxiii—O1—Al2 | 122.05 (6) |
O1—Pb2—O4viii | 63.27 (5) | Al5xxiv—O1—Al2 | 122.05 (6) |
O7vi—Pb2—O4viii | 68.99 (5) | Al5xxiii—O1—Pb2 | 93.98 (7) |
O7vii—Pb2—O4viii | 127.14 (5) | Al5xxiv—O1—Pb2 | 93.98 (7) |
O1—Pb2—O4ix | 63.27 (4) | Al2—O1—Pb2 | 95.65 (7) |
O7vi—Pb2—O4ix | 127.14 (5) | Al4ix—O2—Al4viii | 155.98 (17) |
O7vii—Pb2—O4ix | 68.99 (5) | Al4ix—O2—Pb1 | 101.69 (8) |
O4viii—Pb2—O4ix | 69.79 (7) | Al4viii—O2—Pb1 | 101.69 (8) |
O1—Pb2—O6x | 59.05 (4) | Al4ix—O2—Pb1xxiii | 86.97 (9) |
O7vi—Pb2—O6x | 141.12 (4) | Al4viii—O2—Pb1xxiii | 86.97 (9) |
O7vii—Pb2—O6x | 88.97 (4) | Pb1—O2—Pb1xxiii | 117.87 (11) |
O4viii—Pb2—O6x | 122.01 (4) | Al4ix—O2—Pb2 | 81.53 (10) |
O4ix—Pb2—O6x | 89.33 (4) | Al4viii—O2—Pb2 | 81.53 (10) |
O1—Pb2—O6xi | 59.05 (4) | Pb1—O2—Pb2 | 121.94 (10) |
O7vi—Pb2—O6xi | 88.97 (4) | Pb1xxiii—O2—Pb2 | 120.19 (8) |
O7vii—Pb2—O6xi | 141.12 (4) | Al5xxv—O3—Al3xiv | 125.65 (8) |
O4viii—Pb2—O6xi | 89.33 (4) | Al5xxv—O3—Al1xix | 119.80 (7) |
O4ix—Pb2—O6xi | 122.01 (4) | Al3xiv—O3—Al1xix | 95.46 (6) |
O6x—Pb2—O6xi | 56.52 (5) | Al5xxv—O3—Pb1xxvi | 111.13 (7) |
O1—Pb2—O4vii | 116.66 (5) | Al3xiv—O3—Pb1xxvi | 97.22 (5) |
O7vi—Pb2—O4vii | 107.69 (4) | Al1xix—O3—Pb1xxvi | 103.48 (5) |
O7vii—Pb2—O4vii | 58.03 (4) | Al5xxv—O3—Sr1xxvi | 111.13 (7) |
O4viii—Pb2—O4vii | 174.49 (4) | Al3xiv—O3—Sr1xxvi | 97.22 (5) |
O4ix—Pb2—O4vii | 115.37 (5) | Al1xix—O3—Sr1xxvi | 103.48 (5) |
O6x—Pb2—O4vii | 57.61 (4) | Al5viii—O4—Al4viii | 139.38 (10) |
O6xi—Pb2—O4vii | 86.18 (4) | Al5viii—O4—Pb2vi | 92.13 (6) |
O1—Pb2—O4vi | 116.66 (5) | Al4viii—O4—Pb2vi | 125.63 (8) |
O7vi—Pb2—O4vi | 58.03 (4) | Al5viii—O4—Sr2vi | 92.13 (6) |
O7vii—Pb2—O4vi | 107.69 (4) | Al4viii—O4—Sr2vi | 125.63 (8) |
O4viii—Pb2—O4vi | 115.37 (5) | Al5viii—O4—Pb2viii | 88.60 (6) |
O4ix—Pb2—O4vi | 174.49 (4) | Al4viii—O4—Pb2viii | 87.68 (6) |
O6x—Pb2—O4vi | 86.18 (4) | Pb2vi—O4—Pb2viii | 115.37 (5) |
O6xi—Pb2—O4vi | 57.61 (4) | Sr2vi—O4—Pb2viii | 115.37 (5) |
O4vii—Pb2—O4vi | 59.39 (5) | Al5viii—O4—Pb1 | 84.88 (6) |
O1—Pb2—O2 | 146.03 (6) | Al4viii—O4—Pb1 | 80.74 (6) |
O7vi—Pb2—O2 | 58.80 (4) | Pb2vi—O4—Pb1 | 90.68 (5) |
O7vii—Pb2—O2 | 58.80 (4) | Sr2vi—O4—Pb1 | 90.68 (5) |
O4viii—Pb2—O2 | 89.41 (5) | Pb2viii—O4—Pb1 | 153.38 (5) |
O4ix—Pb2—O2 | 89.41 (5) | Al1viii—O5—Al3xxvii | 96.02 (7) |
O6x—Pb2—O2 | 145.70 (4) | Al1viii—O5—Al3viii | 96.02 (7) |
O6xi—Pb2—O2 | 145.70 (4) | Al3xxvii—O5—Al3viii | 95.28 (9) |
O4vii—Pb2—O2 | 92.50 (5) | Al1viii—O5—Sr1xxiii | 156.90 (10) |
O4vi—Pb2—O2 | 92.50 (5) | Al3xxvii—O5—Sr1xxiii | 99.48 (6) |
O5xii—Al1—O5vi | 180.0 | Al3viii—O5—Sr1xxiii | 99.48 (6) |
O5xii—Al1—O3xiii | 95.60 (6) | Al1viii—O5—Pb1xxiii | 156.90 (10) |
O5vi—Al1—O3xiii | 84.40 (6) | Al3xxvii—O5—Pb1xxiii | 99.48 (6) |
O5xii—Al1—O3xiv | 84.40 (6) | Al3viii—O5—Pb1xxiii | 99.48 (6) |
O5vi—Al1—O3xiv | 95.60 (6) | Al5xi—O6—Al2xxviii | 127.55 (7) |
O3xiii—Al1—O3xiv | 180.0 | Al5xi—O6—Al3xxix | 119.36 (7) |
O5xii—Al1—O3vii | 84.40 (6) | Al2xxviii—O6—Al3xxix | 94.41 (6) |
O5vi—Al1—O3vii | 95.60 (6) | Al5xi—O6—Pb2xi | 94.48 (6) |
O3xiii—Al1—O3vii | 91.84 (8) | Al2xxviii—O6—Pb2xi | 89.02 (5) |
O3xiv—Al1—O3vii | 88.16 (8) | Al3xxix—O6—Pb2xi | 132.22 (6) |
O5xii—Al1—O3xv | 95.60 (6) | Al4xxiii—O7—Al4viii | 118.72 (9) |
O5vi—Al1—O3xv | 84.40 (6) | Al4xxiii—O7—Pb2viii | 100.62 (7) |
O3xiii—Al1—O3xv | 88.16 (8) | Al4viii—O7—Pb2viii | 105.19 (7) |
O3xiv—Al1—O3xv | 91.84 (8) | Al4xxiii—O7—Sr2viii | 100.62 (7) |
O3vii—Al1—O3xv | 180.0 | Al4viii—O7—Sr2viii | 105.19 (7) |
O6xi—Al2—O6xvi | 180.0 | Al4xxiii—O7—Pb1xxiii | 129.96 (8) |
O6xi—Al2—O6xvii | 86.54 (8) | Al4viii—O7—Pb1xxiii | 95.99 (7) |
O6xvi—Al2—O6xvii | 93.46 (8) | Pb2viii—O7—Pb1xxiii | 103.69 (5) |
O6xi—Al2—O6x | 93.46 (8) | Sr2viii—O7—Pb1xxiii | 103.69 (5) |
O6xvi—Al2—O6x | 86.54 (8) |
Symmetry codes: (i) x, y−1, z; (ii) x, y, −z+1; (iii) x, y, z−1; (iv) x, y−1, −z; (v) x, y, −z; (vi) −x+1/2, y−1/2, −z+1/2; (vii) −x+1/2, y−1/2, z−1/2; (viii) −x+1/2, y+1/2, −z+1/2; (ix) −x+1/2, y+1/2, z−1/2; (x) −x+1, −y+1, z−1; (xi) −x+1, −y+1, −z+1; (xii) x−1/2, −y+1/2, z+1/2; (xiii) x−1/2, −y+1/2, z−1/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+1/2, −z+3/2; (xvi) x−1, y, z−1; (xvii) x−1, y, −z+1; (xviii) −x, −y+1, −z; (xix) −x+1/2, y+1/2, −z+3/2; (xx) x−1/2, −y+3/2, z+1/2; (xxi) −x+1, −y+1, z; (xxii) x−1, y, z; (xxiii) x, y+1, z; (xxiv) x, y+1, −z; (xxv) −x+1/2, y+1/2, z+1/2; (xxvi) x, y, z+1; (xxvii) x+1/2, −y+3/2, z−1/2; (xxviii) x+1, y, z+1; (xxix) x+1, y, z. |
Experimental details
Crystal data | |
Chemical formula | (Sr1.65Pb0.35)Al6O11 |
Mr | 555.27 |
Crystal system, space group | Orthorhombic, Pnnm |
Temperature (K) | 296 |
a, b, c (Å) | 22.0299 (4), 4.8802 (1), 8.3995 (2) |
V (Å3) | 903.03 (3) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 16.94 |
Crystal size (mm) | 0.12 × 0.05 × 0.05 |
Data collection | |
Diffractometer | Bruker SMART CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2008) |
Tmin, Tmax | 0.236, 0.485 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 10434, 2509, 2190 |
Rint | 0.042 |
(sin θ/λ)max (Å−1) | 0.857 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.027, 0.061, 1.05 |
No. of reflections | 2509 |
No. of parameters | 101 |
Δρmax, Δρmin (e Å−3) | 1.12, −1.51 |
Computer programs: SMART (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ATOMS for Windows (Dowty, 2006), publCIF (Westrip, 2010).
Acknowledgements
The X-ray centre of the Vienna University of Technology is acknowledged for providing access to the single-crystal diffractometer.
References
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Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
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