Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
Data collection: MSC/AFC Diffractometer Control; cell refinement: MSC/AFC Diffractometer Control; data reduction: TEXSAN (MSC, 1995); program(s) used to solve structure: Zabukovic et al.; Rajic et al., 1995; program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: TEXSAN (MSC, 1995).
Na6[Co0.2Zn0.8PO4]6·6(H2O) | Dx = 2.792 Mg m−3 |
Mr = 200.06 | Cu Kα radiation, λ = 1.5418 Å |
Hexagonal, P6522 | Cell parameters from 14 reflections |
a = 10.464 (4) Å | θ = 15.6–26.1° |
c = 15.056 (4) Å | µ = 15.01 mm−1 |
V = 1427.6 (6) Å3 | T = 294 K |
Z = 12 | Prismatic, blue |
F(000) = 1169 | 0.05 × 0.02 × 0.02 mm |
Rigaku AFC5R four circle diffractometer | 637 reflections with I > 2σ(I) |
Radiation source: Rigaku rotating anode | Rint = 0.059 |
Graphite monochromator | θmax = 59.9°, θmin = 5.7° |
ω–2θ scans | h = −10→10 |
Absorption correction: ψ scan (North,Phillips & Matthews, 1968) | k = −10→10 |
Tmin = 0.592, Tmax = 0.741 | l = −16→16 |
1733 measured reflections | 3 standard reflections every 150 reflections |
713 independent reflections | intensity decay: 1.0% |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.051 | Calculated w = 1/[σ2(Fo2) + (0.0333P)2 + 20.8883P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.125 | (Δ/σ)max < 0.001 |
S = 1.08 | Δρmax = 0.62 e Å−3 |
713 reflections | Δρmin = −0.47 e Å−3 |
72 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.0020 (2) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack H D (1983), Acta Cryst. A39, 876-881 |
Secondary atom site location: difference Fourier map | Absolute structure parameter: 0.00 (18) |
Experimental. The scan width was (0.94 + 0.30tanθ)° with an ω scan speed of 8° per minute (up to 4 scans to achieve I/σ(I) > 10). Stationary background counts were recorded at each end of the scan, and the scan time:background time ratio was 2:1. |
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) | |
Zn1 | −0.49273 (11) | −0.50727 (11) | 0.0833 | 0.0160 (6) | |
Zn2 | 0.15823 (11) | −0.15823 (11) | 0.0833 | 0.0145 (6) | |
P1 | −0.1691 (3) | −0.4097 (3) | 0.05934 (18) | 0.0123 (7) | |
Na1 | −0.6343 (11) | −0.2974 (11) | 0.0765 (9) | 0.044 (3)* | 0.50 |
O1 | −0.0491 (8) | −0.2469 (8) | 0.0535 (5) | 0.023 (2) | |
O2 | −0.3112 (8) | −0.4286 (10) | 0.0181 (5) | 0.027 (2) | |
O3 | −0.6162 (9) | −0.4919 (9) | −0.0088 (6) | 0.028 (2)* | |
O4 | −0.1966 (8) | −0.4612 (8) | 0.1553 (5) | 0.0200 (19) | |
Na2A | −0.091 (4) | −0.018 (5) | −0.038 (2) | 0.137 (12)* | 0.320 (14) |
Na2B | −0.212 (7) | −0.185 (8) | −0.049 (4) | 0.137 (12)* | 0.180 (14) |
O5A | −0.414 (4) | −0.312 (5) | −0.157 (3) | 0.168 (14)* | 0.66 (5) |
O5B | −0.416 (7) | −0.173 (10) | −0.064 (8) | 0.168 (14)* | 0.34 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0161 (8) | 0.0161 (8) | 0.0169 (11) | 0.0090 (9) | −0.0024 (7) | −0.0024 (7) |
Zn2 | 0.0140 (8) | 0.0140 (8) | 0.0136 (10) | 0.0057 (9) | −0.0014 (7) | −0.0014 (7) |
P1 | 0.0077 (13) | 0.0163 (15) | 0.0114 (12) | 0.0048 (12) | 0.0004 (11) | −0.0024 (11) |
O1 | 0.019 (4) | 0.019 (4) | 0.027 (5) | 0.006 (4) | 0.005 (3) | 0.006 (4) |
O2 | 0.010 (4) | 0.039 (5) | 0.025 (4) | 0.007 (4) | 0.007 (3) | 0.011 (4) |
O4 | 0.027 (5) | 0.022 (4) | 0.014 (4) | 0.014 (4) | 0.001 (3) | −0.003 (3) |
Zn1—O2 | 1.920 (7) | O2—Na2B | 2.44 (7) |
Zn1—O2i | 1.920 (7) | O2—Na1ii | 2.604 (15) |
Zn1—O3 | 1.956 (8) | O3—P1xiv | 1.531 (8) |
Zn1—O3i | 1.956 (8) | O3—Na1i | 2.445 (14) |
Zn1—Na1 | 3.207 (10) | O4—Zn2xii | 1.969 (7) |
Zn1—Na1i | 3.207 (10) | O4—Na1xvi | 2.257 (14) |
Zn1—Na1ii | 3.663 (12) | O4—Na1iii | 2.488 (13) |
Zn1—Na1iii | 3.663 (12) | Na2A—Na2Axv | 1.18 (6) |
Zn2—O1 | 1.938 (8) | Na2A—Na2Axi | 1.49 (6) |
Zn2—O1iv | 1.938 (8) | Na2A—Na2B | 1.57 (7) |
Zn2—O4ii | 1.969 (7) | Na2A—Na2Bxi | 1.71 (7) |
Zn2—O4v | 1.969 (7) | Na2A—Na2Bxv | 2.29 (9) |
Zn2—Na1vi | 3.163 (10) | Na2A—Na2Aii | 2.656 (11) |
Zn2—Na1vii | 3.163 (10) | Na2A—Na2Axii | 2.656 (11) |
P1—O4 | 1.519 (7) | Na2A—Na2Bxii | 2.67 (8) |
P1—O2 | 1.529 (8) | Na2A—O1xv | 2.91 (4) |
P1—O3viii | 1.531 (8) | Na2A—O5B | 2.97 (7) |
P1—O1 | 1.532 (8) | Na2A—Na2Bii | 3.62 (8) |
P1—Na2B | 3.08 (7) | Na2B—Na2Axi | 1.71 (7) |
P1—Na1ii | 3.090 (13) | Na2B—Na2Bxi | 1.94 (14) |
P1—Na1viii | 3.359 (12) | Na2B—O5Bxi | 2.07 (9) |
Na1—Na1i | 0.744 (19) | Na2B—O5B | 2.21 (10) |
Na1—O4ix | 2.257 (14) | Na2B—Na2Axv | 2.29 (9) |
Na1—O3i | 2.445 (14) | Na2B—O5A | 2.46 (8) |
Na1—O4x | 2.488 (13) | Na2B—Na2Aii | 2.67 (8) |
Na1—O3 | 2.493 (14) | Na2B—O5Axi | 2.72 (8) |
Na1—O5Axi | 2.53 (4) | Na2B—O5Axvii | 2.83 (9) |
Na1—O2xii | 2.604 (15) | O5A—O5Bxi | 1.10 (9) |
Na1—O5B | 2.90 (9) | O5A—Na1xi | 2.53 (4) |
Na1—P1xii | 3.090 (13) | O5A—Na2Bxi | 2.72 (8) |
Na1—Zn2xiii | 3.163 (10) | O5A—Na2Bxvii | 2.83 (9) |
Na1—P1xiv | 3.359 (12) | O5B—O5Bxi | 0.9 (2) |
O1—Na2B | 2.61 (7) | O5B—O5Axi | 1.10 (9) |
O1—Na2Axv | 2.91 (4) | O5B—Na2Bxi | 2.07 (9) |
O1—Na2A | 2.97 (4) | ||
O2—Zn1—O2i | 121.9 (5) | Na2Axv—Na2A—Na2Axi | 168 (4) |
O2—Zn1—O3 | 98.9 (3) | Na2Axv—Na2A—Na2B | 112 (6) |
O2i—Zn1—O3 | 118.0 (4) | Na2Axi—Na2A—Na2B | 68 (3) |
O2—Zn1—O3i | 118.0 (4) | Na2Axv—Na2A—Na2Bxi | 133 (3) |
O2i—Zn1—O3i | 98.9 (3) | Na2Axi—Na2A—Na2Bxi | 58 (3) |
O3—Zn1—O3i | 99.9 (5) | Na2B—Na2A—Na2Bxi | 72 (5) |
O2—Zn1—Na1 | 112.8 (3) | Na2Axv—Na2A—Na2Bxv | 39 (4) |
O2i—Zn1—Na1 | 125.3 (3) | Na2Axi—Na2A—Na2Bxv | 146 (4) |
O3—Zn1—Na1 | 51.0 (3) | Na2B—Na2A—Na2Bxv | 142 (4) |
O3i—Zn1—Na1 | 49.6 (3) | Na2Bxi—Na2A—Na2Bxv | 108 (3) |
O2—Zn1—Na1i | 125.3 (3) | Na2Axv—Na2A—Na2Aii | 167.5 (14) |
O2i—Zn1—Na1i | 112.8 (3) | Na2Axi—Na2A—Na2Aii | 5.1 (16) |
O3—Zn1—Na1i | 49.6 (3) | Na2B—Na2A—Na2Aii | 73 (3) |
O3i—Zn1—Na1i | 51.0 (3) | Na2Bxi—Na2A—Na2Aii | 59 (3) |
Na1—Zn1—Na1i | 13.3 (3) | Na2Bxv—Na2A—Na2Aii | 141 (2) |
O2—Zn1—Na1ii | 42.8 (3) | Na2Axv—Na2A—Na2Axii | 6 (2) |
O2i—Zn1—Na1ii | 93.1 (3) | Na2Axi—Na2A—Na2Axii | 163 (3) |
O3—Zn1—Na1ii | 87.5 (3) | Na2B—Na2A—Na2Axii | 115 (3) |
O3i—Zn1—Na1ii | 160.7 (3) | Na2Bxi—Na2A—Na2Axii | 139 (3) |
Na1—Zn1—Na1ii | 131.9 (4) | Na2Bxv—Na2A—Na2Axii | 39.7 (17) |
Na1i—Zn1—Na1ii | 136.26 (16) | Na2Aii—Na2A—Na2Axii | 161.1 (7) |
O2—Zn1—Na1iii | 93.1 (3) | Na2Axv—Na2A—Na2Bxii | 27.9 (19) |
O2i—Zn1—Na1iii | 42.8 (3) | Na2Axi—Na2A—Na2Bxii | 161.4 (15) |
O3—Zn1—Na1iii | 160.7 (3) | Na2B—Na2A—Na2Bxii | 97 (3) |
O3i—Zn1—Na1iii | 87.5 (3) | Na2Bxi—Na2A—Na2Bxii | 107 (4) |
Na1—Zn1—Na1iii | 136.26 (16) | Na2Bxv—Na2A—Na2Bxii | 45 (3) |
Na1i—Zn1—Na1iii | 131.9 (4) | Na2Aii—Na2A—Na2Bxii | 164.5 (18) |
Na1ii—Zn1—Na1iii | 91.2 (3) | Na2Axii—Na2A—Na2Bxii | 34.3 (16) |
O1—Zn2—O1iv | 112.6 (5) | Na2Axv—Na2A—O1xv | 81 (4) |
O1—Zn2—O4ii | 110.2 (3) | Na2Axi—Na2A—O1xv | 95.2 (15) |
O1iv—Zn2—O4ii | 113.2 (3) | Na2B—Na2A—O1xv | 158 (3) |
O1—Zn2—O4v | 113.2 (3) | Na2Bxi—Na2A—O1xv | 112 (3) |
O1iv—Zn2—O4v | 110.2 (3) | Na2Bxv—Na2A—O1xv | 59 (2) |
O4ii—Zn2—O4v | 96.5 (4) | Na2Aii—Na2A—O1xv | 90.4 (10) |
O1—Zn2—Na1vi | 117.9 (3) | Na2Axii—Na2A—O1xv | 76.2 (9) |
O1iv—Zn2—Na1vi | 129.3 (3) | Na2Bxii—Na2A—O1xv | 101.6 (17) |
O4ii—Zn2—Na1vi | 51.9 (3) | Na2Axv—Na2A—O5B | 105 (3) |
O4v—Zn2—Na1vi | 45.1 (3) | Na2Axi—Na2A—O5B | 84 (2) |
O1—Zn2—Na1vii | 129.3 (3) | Na2B—Na2A—O5B | 46 (3) |
O1iv—Zn2—Na1vii | 117.9 (3) | Na2Bxi—Na2A—O5B | 43 (3) |
O4ii—Zn2—Na1vii | 45.1 (3) | Na2Bxv—Na2A—O5B | 108 (3) |
O4v—Zn2—Na1vii | 51.9 (3) | Na2Aii—Na2A—O5B | 87 (3) |
Na1vi—Zn2—Na1vii | 13.5 (3) | Na2Axii—Na2A—O5B | 111 (3) |
O4—P1—O2 | 109.9 (4) | Na2Bxii—Na2A—O5B | 78 (3) |
O4—P1—O3viii | 107.5 (4) | O1xv—Na2A—O5B | 150 (3) |
O2—P1—O3viii | 108.4 (5) | Na2Axv—Na2A—O1 | 76 (3) |
O4—P1—O1 | 110.7 (4) | Na2Axi—Na2A—O1 | 95 (3) |
O2—P1—O1 | 108.9 (5) | Na2B—Na2A—O1 | 61 (3) |
O3viii—P1—O1 | 111.3 (4) | Na2Bxi—Na2A—O1 | 133 (3) |
O4—P1—Na2B | 134.6 (13) | Na2Bxv—Na2A—O1 | 113.0 (18) |
O2—P1—Na2B | 51.6 (13) | Na2Aii—Na2A—O1 | 98.3 (10) |
O3viii—P1—Na2B | 117.5 (13) | Na2Axii—Na2A—O1 | 73.8 (8) |
O1—P1—Na2B | 58.1 (13) | Na2Bxii—Na2A—O1 | 87.5 (18) |
O4—P1—Na1ii | 119.2 (4) | O1xv—Na2A—O1 | 107.7 (11) |
O2—P1—Na1ii | 57.3 (4) | O5B—Na2A—O1 | 102 (2) |
O3viii—P1—Na1ii | 51.3 (4) | Na2Axv—Na2A—Na2Bii | 148 (3) |
O1—P1—Na1ii | 129.9 (4) | Na2Axi—Na2A—Na2Bii | 21 (3) |
Na2B—P1—Na1ii | 87.1 (13) | Na2B—Na2A—Na2Bii | 64 (2) |
O4—P1—Na1viii | 109.6 (4) | Na2Bxi—Na2A—Na2Bii | 78 (3) |
O2—P1—Na1viii | 66.7 (4) | Na2Bxv—Na2A—Na2Bii | 153 (3) |
O3viii—P1—Na1viii | 43.9 (4) | Na2Aii—Na2A—Na2Bii | 23.1 (13) |
O1—P1—Na1viii | 138.0 (4) | Na2Axii—Na2A—Na2Bii | 143.2 (17) |
Na2B—P1—Na1viii | 99.5 (13) | Na2Bxii—Na2A—Na2Bii | 159 (2) |
Na1ii—P1—Na1viii | 12.4 (3) | O1xv—Na2A—Na2Bii | 94.6 (14) |
Na1i—Na1—O4ix | 99.3 (12) | O5B—Na2A—Na2Bii | 94 (3) |
Na1i—Na1—O3i | 85.0 (13) | O1—Na2A—Na2Bii | 75.5 (13) |
O4ix—Na1—O3i | 174.8 (6) | Na2A—Na2B—Na2Axi | 54 (3) |
Na1i—Na1—O4x | 63.6 (11) | Na2A—Na2B—Na2Bxi | 57 (3) |
O4ix—Na1—O4x | 76.3 (5) | Na2Axi—Na2B—Na2Bxi | 50 (3) |
O3i—Na1—O4x | 103.3 (5) | Na2A—Na2B—O5Bxi | 121 (5) |
Na1i—Na1—O3 | 77.7 (12) | Na2Axi—Na2B—O5Bxi | 103 (4) |
O4ix—Na1—O3 | 108.9 (6) | Na2Bxi—Na2B—O5Bxi | 67 (3) |
O3i—Na1—O3 | 74.7 (5) | Na2A—Na2B—O5B | 103 (5) |
O4x—Na1—O3 | 141.1 (5) | Na2Axi—Na2B—O5B | 107 (5) |
Na1i—Na1—O5Axi | 164 (3) | Na2Bxi—Na2B—O5B | 59 (3) |
O4ix—Na1—O5Axi | 77.0 (10) | O5Bxi—Na2B—O5B | 25 (6) |
O3i—Na1—O5Axi | 99.6 (10) | Na2A—Na2B—Na2Axv | 29 (3) |
O4x—Na1—O5Axi | 128.7 (13) | Na2Axi—Na2B—Na2Axv | 82 (3) |
O3—Na1—O5Axi | 89.1 (13) | Na2Bxi—Na2B—Na2Axv | 78 (4) |
Na1i—Na1—O2xii | 125 (2) | O5Bxi—Na2B—Na2Axv | 126 (5) |
O4ix—Na1—O2xii | 116.1 (5) | O5B—Na2B—Na2Axv | 101 (4) |
O3i—Na1—O2xii | 58.8 (4) | Na2A—Na2B—O2 | 143 (4) |
O4x—Na1—O2xii | 84.5 (4) | Na2Axi—Na2B—O2 | 142 (4) |
O3—Na1—O2xii | 122.7 (5) | Na2Bxi—Na2B—O2 | 158 (2) |
O5Axi—Na1—O2xii | 69.4 (12) | O5Bxi—Na2B—O2 | 91 (3) |
Na1i—Na1—O5B | 143 (3) | O5B—Na2B—O2 | 101 (4) |
O4ix—Na1—O5B | 79.1 (17) | Na2Axv—Na2B—O2 | 118 (3) |
O3i—Na1—O5B | 99.2 (17) | Na2A—Na2B—O5A | 132 (4) |
O4x—Na1—O5B | 147 (2) | Na2Axi—Na2B—O5A | 93 (3) |
O3—Na1—O5B | 68 (2) | Na2Bxi—Na2B—O5A | 75 (3) |
O5Axi—Na1—O5B | 22.0 (16) | O5Bxi—Na2B—O5A | 26 (3) |
O2xii—Na1—O5B | 87.2 (19) | O5B—Na2B—O5A | 51 (4) |
Na1i—Na1—P1xii | 104.9 (18) | Na2Axv—Na2B—O5A | 149 (4) |
O4ix—Na1—P1xii | 145.7 (5) | O2—Na2B—O5A | 85 (2) |
O3i—Na1—P1xii | 29.3 (2) | Na2A—Na2B—O1 | 87 (3) |
O4x—Na1—P1xii | 92.9 (4) | Na2Axi—Na2B—O1 | 103 (3) |
O3—Na1—P1xii | 99.9 (4) | Na2Bxi—Na2B—O1 | 143 (2) |
O5Axi—Na1—P1xii | 85.4 (11) | O5Bxi—Na2B—O1 | 150 (4) |
O2xii—Na1—P1xii | 29.6 (2) | O5B—Na2B—O1 | 147 (4) |
O5B—Na1—P1xii | 95.3 (17) | Na2Axv—Na2B—O1 | 72.6 (19) |
Na1i—Na1—Zn2xiii | 83.24 (17) | O2—Na2B—O1 | 58.9 (16) |
O4ix—Na1—Zn2xiii | 38.2 (2) | O5A—Na2B—O1 | 138 (3) |
O3i—Na1—Zn2xiii | 140.6 (5) | Na2A—Na2B—Na2Aii | 72 (3) |
O4x—Na1—Zn2xiii | 38.5 (2) | Na2Axi—Na2B—Na2Aii | 18.8 (15) |
O3—Na1—Zn2xiii | 137.9 (5) | Na2Bxi—Na2B—Na2Aii | 57 (3) |
O5Axi—Na1—Zn2xiii | 101.7 (10) | O5Bxi—Na2B—Na2Aii | 94 (4) |
O2xii—Na1—Zn2xiii | 99.0 (4) | O5B—Na2B—Na2Aii | 105 (4) |
O5B—Na1—Zn2xiii | 112.7 (19) | Na2Axv—Na2B—Na2Aii | 100 (3) |
P1xii—Na1—Zn2xiii | 121.3 (4) | O2—Na2B—Na2Aii | 128 (3) |
Na1i—Na1—Zn1 | 83.34 (17) | O5A—Na2B—Na2Aii | 78 (2) |
O4ix—Na1—Zn1 | 145.5 (6) | O1—Na2B—Na2Aii | 108 (2) |
O3i—Na1—Zn1 | 37.5 (2) | Na2A—Na2B—O5Axi | 87 (3) |
O4x—Na1—Zn1 | 132.7 (5) | Na2Axi—Na2B—O5Axi | 111 (4) |
O3—Na1—Zn1 | 37.6 (2) | Na2Bxi—Na2B—O5Axi | 61 (3) |
O5Axi—Na1—Zn1 | 91.2 (11) | O5Bxi—Na2B—O5Axi | 48 (4) |
O2xii—Na1—Zn1 | 88.7 (4) | O5B—Na2B—O5Axi | 23 (3) |
O5B—Na1—Zn1 | 78.5 (19) | Na2Axv—Na2B—O5Axi | 79 (3) |
P1xii—Na1—Zn1 | 62.7 (2) | O2—Na2B—O5Axi | 104 (2) |
Zn2xiii—Na1—Zn1 | 166.6 (3) | O5A—Na2B—O5Axi | 74 (3) |
Na1i—Na1—P1xiv | 62.8 (17) | O1—Na2B—O5Axi | 131 (3) |
O4ix—Na1—P1xiv | 90.5 (4) | Na2Aii—Na2B—O5Axi | 117 (3) |
O3i—Na1—P1xiv | 94.0 (4) | Na2A—Na2B—O5Axvii | 140 (4) |
O4x—Na1—P1xiv | 121.3 (4) | Na2Axi—Na2B—O5Axvii | 87 (3) |
O3—Na1—P1xiv | 25.2 (2) | Na2Bxi—Na2B—O5Axvii | 102 (4) |
O5Axi—Na1—P1xiv | 101.8 (14) | O5Bxi—Na2B—O5Axvii | 66 (4) |
O2xii—Na1—P1xiv | 147.7 (4) | O5B—Na2B—O5Axvii | 91 (4) |
O5B—Na1—P1xiv | 80 (2) | Na2Axv—Na2B—O5Axvii | 165 (3) |
P1xii—Na1—P1xiv | 122.1 (3) | O2—Na2B—O5Axvii | 67.0 (19) |
Zn2xiii—Na1—P1xiv | 113.3 (3) | O5A—Na2B—O5Axvii | 41 (2) |
Zn1—Na1—P1xiv | 59.82 (19) | O1—Na2B—O5Axvii | 101 (2) |
P1—O1—Zn2 | 128.2 (5) | Na2Aii—Na2B—O5Axvii | 68 (2) |
P1—O1—Na2B | 92.1 (16) | O5Axi—Na2B—O5Axvii | 114 (3) |
Zn2—O1—Na2B | 137.0 (15) | O5Bxi—O5A—Na2B | 56 (5) |
P1—O1—Na2Axv | 130.5 (9) | O5Bxi—O5A—Na1xi | 98 (5) |
Zn2—O1—Na2Axv | 99.8 (8) | Na2B—O5A—Na1xi | 152 (3) |
Na2B—O1—Na2Axv | 48.6 (18) | O5Bxi—O5A—Na2Bxi | 51 (5) |
P1—O1—Na2A | 123.5 (8) | Na2B—O5A—Na2Bxi | 44 (3) |
Zn2—O1—Na2A | 107.6 (8) | Na1xi—O5A—Na2Bxi | 113 (2) |
Na2B—O1—Na2A | 31.8 (15) | O5Bxi—O5A—Na2Bxvii | 124 (5) |
Na2Axv—O1—Na2A | 23.1 (11) | Na2B—O5A—Na2Bxvii | 85 (3) |
P1—O2—Zn1 | 122.5 (4) | Na1xi—O5A—Na2Bxvii | 105 (2) |
P1—O2—Na2B | 99.0 (16) | Na2Bxi—O5A—Na2Bxvii | 72 (2) |
Zn1—O2—Na2B | 118.2 (16) | O5Bxi—O5B—O5Axi | 170 (10) |
P1—O2—Na1ii | 93.1 (5) | O5Bxi—O5B—Na2Bxi | 86 (7) |
Zn1—O2—Na1ii | 107.1 (4) | O5Axi—O5B—Na2Bxi | 98 (6) |
Na2B—O2—Na1ii | 114.7 (16) | O5Bxi—O5B—Na2B | 69 (6) |
P1xiv—O3—Zn1 | 139.6 (6) | O5Axi—O5B—Na2B | 106 (6) |
P1xiv—O3—Na1i | 99.4 (5) | Na2Bxi—O5B—Na2B | 54 (4) |
Zn1—O3—Na1i | 92.9 (4) | O5Bxi—O5B—Na1 | 114 (8) |
P1xiv—O3—Na1 | 110.9 (5) | O5Axi—O5B—Na1 | 60 (5) |
Zn1—O3—Na1 | 91.4 (4) | Na2Bxi—O5B—Na1 | 155 (5) |
Na1i—O3—Na1 | 17.3 (4) | Na2B—O5B—Na1 | 118 (4) |
P1—O4—Zn2xii | 119.1 (4) | O5Bxi—O5B—Na2A | 94 (3) |
P1—O4—Na1xvi | 143.8 (5) | O5Axi—O5B—Na2A | 85 (5) |
Zn2xii—O4—Na1xvi | 96.7 (4) | Na2Bxi—O5B—Na2A | 34 (2) |
P1—O4—Na1iii | 144.5 (5) | Na2B—O5B—Na2A | 31 (2) |
Zn2xii—O4—Na1iii | 89.6 (4) | Na1—O5B—Na2A | 125 (4) |
Na1xvi—O4—Na1iii | 17.2 (4) | ||
O2—Zn1—Na1—Na1i | 161.3 (19) | Na2Bxi—Na2A—Na2B—O5A | 8 (4) |
O2i—Zn1—Na1—Na1i | −21 (2) | Na2Bxv—Na2A—Na2B—O5A | 105 (5) |
O3—Zn1—Na1—Na1i | 78 (2) | Na2Aii—Na2A—Na2B—O5A | −54 (5) |
O3i—Zn1—Na1—Na1i | −90 (2) | Na2Axii—Na2A—Na2B—O5A | 144 (4) |
Na1ii—Zn1—Na1—Na1i | 115.2 (19) | Na2Bxii—Na2A—Na2B—O5A | 113 (5) |
Na1iii—Zn1—Na1—Na1i | −77 (2) | O1xv—Na2A—Na2B—O5A | −98 (9) |
O2—Zn1—Na1—O4ix | 64.6 (8) | O5B—Na2A—Na2B—O5A | 48 (6) |
O2i—Zn1—Na1—O4ix | −117.9 (7) | O1—Na2A—Na2B—O5A | −164 (6) |
O3—Zn1—Na1—O4ix | −18.3 (7) | Na2Bii—Na2A—Na2B—O5A | −77 (5) |
O3i—Zn1—Na1—O4ix | 172.8 (9) | Na2Axv—Na2A—Na2B—O1 | −58 (2) |
Na1i—Zn1—Na1—O4ix | −97 (2) | Na2Axi—Na2A—Na2B—O1 | 109 (3) |
Na1ii—Zn1—Na1—O4ix | 18.4 (10) | Na2Bxi—Na2A—Na2B—O1 | 171 (4) |
Na1iii—Zn1—Na1—O4ix | −173.8 (7) | Na2Bxv—Na2A—Na2B—O1 | −91 (6) |
O2—Zn1—Na1—O3i | −108.2 (5) | Na2Aii—Na2A—Na2B—O1 | 109.7 (19) |
O2i—Zn1—Na1—O3i | 69.3 (5) | Na2Axii—Na2A—Na2B—O1 | −52 (3) |
O3—Zn1—Na1—O3i | 168.9 (3) | Na2Bxii—Na2A—Na2B—O1 | −83 (2) |
Na1i—Zn1—Na1—O3i | 90 (2) | O1xv—Na2A—Na2B—O1 | 65 (9) |
Na1ii—Zn1—Na1—O3i | −154.4 (4) | O5B—Na2A—Na2B—O1 | −148 (5) |
Na1iii—Zn1—Na1—O3i | 13.4 (4) | Na2Bii—Na2A—Na2B—O1 | 86.8 (19) |
O2—Zn1—Na1—O4x | −154.6 (6) | Na2Axv—Na2A—Na2B—Na2Aii | −168.0 (10) |
O2i—Zn1—Na1—O4x | 22.9 (8) | Na2Axi—Na2A—Na2B—Na2Aii | 0 (3) |
O3—Zn1—Na1—O4x | 122.5 (7) | Na2Bxi—Na2A—Na2B—Na2Aii | 62 (3) |
O3i—Zn1—Na1—O4x | −46.4 (6) | Na2Bxv—Na2A—Na2B—Na2Aii | 159 (5) |
Na1i—Zn1—Na1—O4x | 44.1 (16) | Na2Axii—Na2A—Na2B—Na2Aii | −162.0 (12) |
Na1ii—Zn1—Na1—O4x | 159.2 (4) | Na2Bxii—Na2A—Na2B—Na2Aii | 167.4 (15) |
Na1iii—Zn1—Na1—O4x | −33.0 (6) | O1xv—Na2A—Na2B—Na2Aii | −44 (9) |
O2—Zn1—Na1—O3 | 82.9 (4) | O5B—Na2A—Na2B—Na2Aii | 102 (4) |
O2i—Zn1—Na1—O3 | −99.7 (5) | O1—Na2A—Na2B—Na2Aii | −109.7 (19) |
O3i—Zn1—Na1—O3 | −168.9 (3) | Na2Bii—Na2A—Na2B—Na2Aii | −22.9 (10) |
Na1i—Zn1—Na1—O3 | −78 (2) | Na2Axv—Na2A—Na2B—O5Axi | 73 (3) |
Na1ii—Zn1—Na1—O3 | 36.7 (5) | Na2Axi—Na2A—Na2B—O5Axi | −119 (3) |
Na1iii—Zn1—Na1—O3 | −155.6 (4) | Na2Bxi—Na2A—Na2B—O5Axi | −57 (3) |
O2—Zn1—Na1—O5Axi | −4.0 (13) | Na2Bxv—Na2A—Na2B—O5Axi | 40 (6) |
O2i—Zn1—Na1—O5Axi | 173.5 (13) | Na2Aii—Na2A—Na2B—O5Axi | −119 (2) |
O3—Zn1—Na1—O5Axi | −86.9 (13) | Na2Axii—Na2A—Na2B—O5Axi | 79 (3) |
O3i—Zn1—Na1—O5Axi | 104.2 (13) | Na2Bxii—Na2A—Na2B—O5Axi | 48 (3) |
Na1i—Zn1—Na1—O5Axi | −165 (3) | O1xv—Na2A—Na2B—O5Axi | −163 (7) |
Na1ii—Zn1—Na1—O5Axi | −50.1 (14) | O5B—Na2A—Na2B—O5Axi | −17 (3) |
Na1iii—Zn1—Na1—O5Axi | 117.6 (13) | O1—Na2A—Na2B—O5Axi | 131 (3) |
O2—Zn1—Na1—O2xii | −73.4 (4) | Na2Bii—Na2A—Na2B—O5Axi | −141.9 (19) |
O2i—Zn1—Na1—O2xii | 104.1 (4) | Na2Axv—Na2A—Na2B—O5Axvii | −162 (5) |
O3—Zn1—Na1—O2xii | −156.3 (5) | Na2Axi—Na2A—Na2B—O5Axvii | 5 (6) |
O3i—Zn1—Na1—O2xii | 34.8 (4) | Na2Bxi—Na2A—Na2B—O5Axvii | 67 (6) |
Na1i—Zn1—Na1—O2xii | 125 (2) | Na2Bxv—Na2A—Na2B—O5Axvii | 165 (3) |
Na1ii—Zn1—Na1—O2xii | −119.5 (4) | Na2Aii—Na2A—Na2B—O5Axvii | 6 (5) |
Na1iii—Zn1—Na1—O2xii | 48.2 (3) | Na2Axii—Na2A—Na2B—O5Axvii | −156 (4) |
O2—Zn1—Na1—O5B | 14 (2) | Na2Bxii—Na2A—Na2B—O5Axvii | 173 (4) |
O2i—Zn1—Na1—O5B | −168 (2) | O1xv—Na2A—Na2B—O5Axvii | −39 (13) |
O3—Zn1—Na1—O5B | −69 (2) | O5B—Na2A—Na2B—O5Axvii | 108 (7) |
O3i—Zn1—Na1—O5B | 122 (2) | O1—Na2A—Na2B—O5Axvii | −104 (6) |
Na1i—Zn1—Na1—O5B | −147 (3) | Na2Bii—Na2A—Na2B—O5Axvii | −17 (5) |
Na1ii—Zn1—Na1—O5B | −32 (2) | P1—O2—Na2B—Na2A | −32 (7) |
Na1iii—Zn1—Na1—O5B | 136 (2) | Zn1—O2—Na2B—Na2A | 103 (6) |
O2—Zn1—Na1—P1xii | −88.1 (3) | Na1ii—O2—Na2B—Na2A | −129 (6) |
O2i—Zn1—Na1—P1xii | 89.3 (4) | P1—O2—Na2B—Na2Axi | 64 (6) |
O3—Zn1—Na1—P1xii | −171.0 (4) | Zn1—O2—Na2B—Na2Axi | −161 (5) |
O3i—Zn1—Na1—P1xii | 20.1 (3) | Na1ii—O2—Na2B—Na2Axi | −34 (6) |
Na1i—Zn1—Na1—P1xii | 111 (2) | P1—O2—Na2B—Na2Bxi | 177 (14) |
Na1ii—Zn1—Na1—P1xii | −134.3 (3) | Zn1—O2—Na2B—Na2Bxi | −48 (15) |
Na1iii—Zn1—Na1—P1xii | 33.4 (2) | Na1ii—O2—Na2B—Na2Bxi | 80 (14) |
O2—Zn1—Na1—Zn2xiii | 161 (2) | P1—O2—Na2B—O5Bxi | 177 (4) |
O2i—Zn1—Na1—Zn2xiii | −21 (2) | Zn1—O2—Na2B—O5Bxi | −48 (4) |
O3—Zn1—Na1—Zn2xiii | 78 (2) | Na1ii—O2—Na2B—O5Bxi | 80 (4) |
O3i—Zn1—Na1—Zn2xiii | −90 (2) | P1—O2—Na2B—O5B | −159 (4) |
Na1i—Zn1—Na1—Zn2xiii | 0.001 (5) | Zn1—O2—Na2B—O5B | −25 (4) |
Na1ii—Zn1—Na1—Zn2xiii | 115.2 (19) | Na1ii—O2—Na2B—O5B | 103 (4) |
Na1iii—Zn1—Na1—Zn2xiii | −77 (2) | P1—O2—Na2B—Na2Axv | −51 (3) |
O2—Zn1—Na1—P1xiv | 99.0 (3) | Zn1—O2—Na2B—Na2Axv | 84 (3) |
O2i—Zn1—Na1—P1xiv | −83.5 (4) | Na1ii—O2—Na2B—Na2Axv | −148 (2) |
O3—Zn1—Na1—P1xiv | 16.1 (3) | P1—O2—Na2B—O5A | 152.0 (18) |
O3i—Zn1—Na1—P1xiv | −152.8 (4) | Zn1—O2—Na2B—O5A | −73 (2) |
Na1i—Zn1—Na1—P1xiv | −62 (2) | Na1ii—O2—Na2B—O5A | 54 (2) |
Na1ii—Zn1—Na1—P1xiv | 52.8 (4) | P1—O2—Na2B—O1 | −6.6 (11) |
Na1iii—Zn1—Na1—P1xiv | −139.4 (2) | Zn1—O2—Na2B—O1 | 127.9 (8) |
O4—P1—O1—Zn2 | 65.8 (6) | Na1ii—O2—Na2B—O1 | −104.2 (10) |
O2—P1—O1—Zn2 | −173.2 (5) | P1—O2—Na2B—Na2Aii | 82 (3) |
O3viii—P1—O1—Zn2 | −53.8 (7) | Zn1—O2—Na2B—Na2Aii | −143 (3) |
Na2B—P1—O1—Zn2 | −163.7 (16) | Na1ii—O2—Na2B—Na2Aii | −15 (4) |
Na1ii—P1—O1—Zn2 | −110.4 (6) | P1—O2—Na2B—O5Axi | −136 (2) |
Na1viii—P1—O1—Zn2 | −97.4 (6) | Zn1—O2—Na2B—O5Axi | −2 (3) |
O4—P1—O1—Na2B | −130.5 (15) | Na1ii—O2—Na2B—O5Axi | 126 (2) |
O2—P1—O1—Na2B | −9.5 (15) | P1—O2—Na2B—O5Axvii | 113.7 (13) |
O3viii—P1—O1—Na2B | 110.0 (15) | Zn1—O2—Na2B—O5Axvii | −111.8 (15) |
Na1ii—P1—O1—Na2B | 53.3 (16) | Na1ii—O2—Na2B—O5Axvii | 16.1 (18) |
Na1viii—P1—O1—Na2B | 66.3 (16) | P1—O1—Na2B—Na2A | 172 (3) |
O4—P1—O1—Na2Axv | −97.6 (10) | Zn2—O1—Na2B—Na2A | −27 (4) |
O2—P1—O1—Na2Axv | 23.4 (10) | Na2Axv—O1—Na2B—Na2A | 25 (2) |
O3viii—P1—O1—Na2Axv | 142.8 (9) | P1—O1—Na2B—Na2Axi | −137 (3) |
Na2B—P1—O1—Na2Axv | 32.9 (16) | Zn2—O1—Na2B—Na2Axi | 24 (5) |
Na1ii—P1—O1—Na2Axv | 86.1 (10) | Na2Axv—O1—Na2B—Na2Axi | 77 (4) |
Na1viii—P1—O1—Na2Axv | 99.2 (10) | Na2A—O1—Na2B—Na2Axi | 51 (3) |
O4—P1—O1—Na2A | −125.4 (8) | P1—O1—Na2B—Na2Bxi | −176 (8) |
O2—P1—O1—Na2A | −4.4 (9) | Zn2—O1—Na2B—Na2Bxi | −15 (10) |
O3viii—P1—O1—Na2A | 115.1 (8) | Na2Axv—O1—Na2B—Na2Bxi | 37 (8) |
Na2B—P1—O1—Na2A | 5.1 (17) | Na2A—O1—Na2B—Na2Bxi | 12 (6) |
Na1ii—P1—O1—Na2A | 58.4 (9) | P1—O1—Na2B—O5Bxi | 15 (9) |
Na1viii—P1—O1—Na2A | 71.5 (10) | Zn2—O1—Na2B—O5Bxi | 176 (8) |
O1iv—Zn2—O1—P1 | −155.6 (7) | Na2Axv—O1—Na2B—O5Bxi | −132 (10) |
O4ii—Zn2—O1—P1 | 77.0 (6) | Na2A—O1—Na2B—O5Bxi | −157 (11) |
O4v—Zn2—O1—P1 | −29.8 (7) | P1—O1—Na2B—O5B | 63 (8) |
Na1vi—Zn2—O1—P1 | 20.3 (7) | Zn2—O1—Na2B—O5B | −135 (8) |
Na1vii—Zn2—O1—P1 | 29.0 (8) | Na2Axv—O1—Na2B—O5B | −83 (8) |
O1iv—Zn2—O1—Na2B | 49 (2) | Na2A—O1—Na2B—O5B | −108 (9) |
O4ii—Zn2—O1—Na2B | −79 (2) | P1—O1—Na2B—Na2Axv | 146.7 (15) |
O4v—Zn2—O1—Na2B | 175 (2) | Zn2—O1—Na2B—Na2Axv | −52 (3) |
Na1vi—Zn2—O1—Na2B | −135 (2) | Na2A—O1—Na2B—Na2Axv | −25 (2) |
Na1vii—Zn2—O1—Na2B | −127 (2) | P1—O1—Na2B—O2 | 6.6 (11) |
O1iv—Zn2—O1—Na2Axv | 11.7 (6) | Zn2—O1—Na2B—O2 | 167.7 (10) |
O4ii—Zn2—O1—Na2Axv | −115.7 (7) | Na2Axv—O1—Na2B—O2 | −140 (2) |
O4v—Zn2—O1—Na2Axv | 137.5 (7) | Na2A—O1—Na2B—O2 | −165 (4) |
Na1vi—Zn2—O1—Na2Axv | −172.4 (7) | P1—O1—Na2B—O5A | −27 (4) |
Na1vii—Zn2—O1—Na2Axv | −163.7 (7) | Zn2—O1—Na2B—O5A | 135 (4) |
O1iv—Zn2—O1—Na2A | 34.1 (6) | Na2Axv—O1—Na2B—O5A | −173 (6) |
O4ii—Zn2—O1—Na2A | −93.3 (7) | Na2A—O1—Na2B—O5A | 162 (7) |
O4v—Zn2—O1—Na2A | 160.0 (6) | P1—O1—Na2B—Na2Aii | −118 (2) |
Na1vi—Zn2—O1—Na2A | −150.0 (7) | Zn2—O1—Na2B—Na2Aii | 43 (4) |
Na1vii—Zn2—O1—Na2A | −141.2 (7) | Na2Axv—O1—Na2B—Na2Aii | 96 (3) |
O4—P1—O2—Zn1 | 0.0 (8) | Na2A—O1—Na2B—Na2Aii | 70 (3) |
O3viii—P1—O2—Zn1 | 117.3 (6) | P1—O1—Na2B—O5Axi | 88 (4) |
O1—P1—O2—Zn1 | −121.5 (6) | Zn2—O1—Na2B—O5Axi | −110 (3) |
Na2B—P1—O2—Zn1 | −131.8 (18) | Na2Axv—O1—Na2B—O5Axi | −58 (3) |
Na1ii—P1—O2—Zn1 | 112.6 (7) | Na2A—O1—Na2B—O5Axi | −83 (4) |
Na1viii—P1—O2—Zn1 | 103.4 (6) | P1—O1—Na2B—O5Axvii | −47.6 (19) |
O4—P1—O2—Na2B | 131.8 (17) | Zn2—O1—Na2B—O5Axvii | 114 (2) |
O3viii—P1—O2—Na2B | −110.9 (17) | Na2Axv—O1—Na2B—O5Axvii | 166 (3) |
O1—P1—O2—Na2B | 10.3 (17) | Na2A—O1—Na2B—O5Axvii | 141 (4) |
Na1ii—P1—O2—Na2B | −115.6 (17) | Na2A—Na2B—O5A—O5Bxi | −74 (8) |
Na1viii—P1—O2—Na2B | −124.8 (17) | Na2Axi—Na2B—O5A—O5Bxi | −115 (7) |
O4—P1—O2—Na1ii | −112.6 (4) | Na2Bxi—Na2B—O5A—O5Bxi | −67 (7) |
O3viii—P1—O2—Na1ii | 4.7 (6) | O5B—Na2B—O5A—O5Bxi | −5 (9) |
O1—P1—O2—Na1ii | 125.9 (4) | Na2Axv—Na2B—O5A—O5Bxi | −36 (9) |
Na2B—P1—O2—Na1ii | 115.6 (17) | O2—Na2B—O5A—O5Bxi | 103 (7) |
Na1viii—P1—O2—Na1ii | −9.2 (4) | O1—Na2B—O5A—O5Bxi | 131 (8) |
O2i—Zn1—O2—P1 | −50.6 (5) | Na2Aii—Na2B—O5A—O5Bxi | −126 (7) |
O3—Zn1—O2—P1 | 178.3 (6) | O5Axi—Na2B—O5A—O5Bxi | −4 (6) |
O3i—Zn1—O2—P1 | 72.0 (7) | O5Axvii—Na2B—O5A—O5Bxi | 163 (7) |
Na1—Zn1—O2—P1 | 127.0 (6) | Na2A—Na2B—O5A—Na1xi | −48 (9) |
Na1i—Zn1—O2—P1 | 132.2 (6) | Na2Axi—Na2B—O5A—Na1xi | −89 (6) |
Na1ii—Zn1—O2—P1 | −105.2 (8) | Na2Bxi—Na2B—O5A—Na1xi | −42 (6) |
Na1iii—Zn1—O2—P1 | −16.8 (6) | O5Bxi—Na2B—O5A—Na1xi | 26 (7) |
O2i—Zn1—O2—Na2B | −173.9 (19) | O5B—Na2B—O5A—Na1xi | 21 (6) |
O3—Zn1—O2—Na2B | 54.9 (19) | Na2Axv—Na2B—O5A—Na1xi | −11 (10) |
O3i—Zn1—O2—Na2B | −51.4 (19) | O2—Na2B—O5A—Na1xi | 129 (5) |
Na1—Zn1—O2—Na2B | 3.6 (19) | O1—Na2B—O5A—Na1xi | 157 (3) |
Na1i—Zn1—O2—Na2B | 8.8 (19) | Na2Aii—Na2B—O5A—Na1xi | −100 (5) |
Na1ii—Zn1—O2—Na2B | 131.4 (19) | O5Axi—Na2B—O5A—Na1xi | 22 (5) |
Na1iii—Zn1—O2—Na2B | −140.2 (18) | O5Axvii—Na2B—O5A—Na1xi | −171 (6) |
O2i—Zn1—O2—Na1ii | 54.7 (3) | Na2A—Na2B—O5A—Na2Bxi | −7 (4) |
O3—Zn1—O2—Na1ii | −76.5 (4) | Na2Axi—Na2B—O5A—Na2Bxi | −48 (3) |
O3i—Zn1—O2—Na1ii | 177.2 (4) | O5Bxi—Na2B—O5A—Na2Bxi | 67 (7) |
Na1—Zn1—O2—Na1ii | −127.8 (5) | O5B—Na2B—O5A—Na2Bxi | 62 (4) |
Na1i—Zn1—O2—Na1ii | −122.6 (4) | Na2Axv—Na2B—O5A—Na2Bxi | 31 (6) |
Na1iii—Zn1—O2—Na1ii | 88.4 (5) | O2—Na2B—O5A—Na2Bxi | 170 (4) |
O2—Zn1—O3—P1xiv | 122.4 (8) | O1—Na2B—O5A—Na2Bxi | −162 (6) |
O2i—Zn1—O3—P1xiv | −11.2 (9) | Na2Aii—Na2B—O5A—Na2Bxi | −59 (3) |
O3i—Zn1—O3—P1xiv | −116.9 (9) | O5Axi—Na2B—O5A—Na2Bxi | 64 (3) |
Na1—Zn1—O3—P1xiv | −125.5 (9) | O5Axvii—Na2B—O5A—Na2Bxi | −129 (4) |
Na1i—Zn1—O3—P1xiv | −108.2 (9) | Na2A—Na2B—O5A—Na2Bxvii | 63 (5) |
Na1ii—Zn1—O3—P1xiv | 81.0 (8) | Na2Axi—Na2B—O5A—Na2Bxvii | 22 (3) |
Na1iii—Zn1—O3—P1xiv | −5.4 (16) | Na2Bxi—Na2B—O5A—Na2Bxvii | 70 (3) |
O2—Zn1—O3—Na1i | −129.4 (4) | O5Bxi—Na2B—O5A—Na2Bxvii | 137 (7) |
O2i—Zn1—O3—Na1i | 97.0 (4) | O5B—Na2B—O5A—Na2Bxvii | 132 (4) |
O3i—Zn1—O3—Na1i | −8.7 (2) | Na2Axv—Na2B—O5A—Na2Bxvii | 101 (6) |
Na1—Zn1—O3—Na1i | −17.2 (4) | O2—Na2B—O5A—Na2Bxvii | −120 (3) |
Na1ii—Zn1—O3—Na1i | −170.8 (3) | O1—Na2B—O5A—Na2Bxvii | −92 (5) |
Na1iii—Zn1—O3—Na1i | 102.8 (10) | Na2Aii—Na2B—O5A—Na2Bxvii | 10.9 (13) |
O2—Zn1—O3—Na1 | −112.2 (4) | O5Axi—Na2B—O5A—Na2Bxvii | 134 (3) |
O2i—Zn1—O3—Na1 | 114.3 (4) | O5Axvii—Na2B—O5A—Na2Bxvii | −59 (3) |
O3i—Zn1—O3—Na1 | 8.5 (2) | Na2A—Na2B—O5B—O5Bxi | 140 (11) |
Na1i—Zn1—O3—Na1 | 17.2 (4) | Na2Axi—Na2B—O5B—O5Bxi | 84 (11) |
Na1ii—Zn1—O3—Na1 | −153.5 (4) | Na2Bxi—Na2B—O5B—O5Bxi | 101 (12) |
Na1iii—Zn1—O3—Na1 | 120.0 (7) | Na2Axv—Na2B—O5B—O5Bxi | 169 (10) |
Na1i—Na1—O3—P1xiv | 50.5 (17) | O2—Na2B—O5B—O5Bxi | −69 (11) |
O4ix—Na1—O3—P1xiv | −45.2 (6) | O5A—Na2B—O5B—O5Bxi | 5 (9) |
O3i—Na1—O3—P1xiv | 138.7 (7) | O1—Na2B—O5B—O5Bxi | −116 (13) |
O4x—Na1—O3—P1xiv | 46.4 (11) | Na2Aii—Na2B—O5B—O5Bxi | 65 (11) |
O5Axi—Na1—O3—P1xiv | −121.1 (11) | O5Axi—Na2B—O5B—O5Bxi | −171 (17) |
O2xii—Na1—O3—P1xiv | 174.2 (5) | O5Axvii—Na2B—O5B—O5Bxi | −2 (11) |
O5B—Na1—O3—P1xiv | −114.5 (18) | Na2A—Na2B—O5B—O5Axi | −49 (8) |
P1xii—Na1—O3—P1xiv | 153.7 (4) | Na2Axi—Na2B—O5B—O5Axi | −104 (7) |
Zn2xiii—Na1—O3—P1xiv | −14.5 (9) | Na2Bxi—Na2B—O5B—O5Axi | −88 (8) |
Zn1—Na1—O3—P1xiv | 145.6 (7) | O5Bxi—Na2B—O5B—O5Axi | 171 (17) |
Na1i—Na1—O3—Zn1 | −95.1 (16) | Na2Axv—Na2B—O5B—O5Axi | −20 (8) |
O4ix—Na1—O3—Zn1 | 169.2 (4) | O2—Na2B—O5B—O5Axi | 102 (7) |
O3i—Na1—O3—Zn1 | −6.97 (19) | O5A—Na2B—O5B—O5Axi | 176 (8) |
O4x—Na1—O3—Zn1 | −99.3 (9) | O1—Na2B—O5B—O5Axi | 55 (12) |
O5Axi—Na1—O3—Zn1 | 93.2 (10) | Na2Aii—Na2B—O5B—O5Axi | −124 (7) |
O2xii—Na1—O3—Zn1 | 28.6 (6) | O5Axvii—Na2B—O5B—O5Axi | 169 (7) |
O5B—Na1—O3—Zn1 | 99.9 (18) | Na2A—Na2B—O5B—Na2Bxi | 39 (3) |
P1xii—Na1—O3—Zn1 | 8.1 (4) | Na2Axi—Na2B—O5B—Na2Bxi | −16 (4) |
Zn2xiii—Na1—O3—Zn1 | −160.2 (5) | O5Bxi—Na2B—O5B—Na2Bxi | −101 (12) |
P1xiv—Na1—O3—Zn1 | −145.6 (7) | Na2Axv—Na2B—O5B—Na2Bxi | 68 (4) |
O4ix—Na1—O3—Na1i | −95.7 (16) | O2—Na2B—O5B—Na2Bxi | −170 (6) |
O3i—Na1—O3—Na1i | 88.1 (17) | O5A—Na2B—O5B—Na2Bxi | −96 (5) |
O4x—Na1—O3—Na1i | −4.2 (11) | O1—Na2B—O5B—Na2Bxi | 143 (10) |
O5Axi—Na1—O3—Na1i | −172 (2) | Na2Aii—Na2B—O5B—Na2Bxi | −36 (4) |
O2xii—Na1—O3—Na1i | 124 (2) | O5Axi—Na2B—O5B—Na2Bxi | 88 (8) |
O5B—Na1—O3—Na1i | −165 (2) | O5Axvii—Na2B—O5B—Na2Bxi | −103 (4) |
P1xii—Na1—O3—Na1i | 103.2 (17) | Na2A—Na2B—O5B—Na1 | −113 (5) |
Zn2xiii—Na1—O3—Na1i | −65.1 (14) | Na2Axi—Na2B—O5B—Na1 | −168 (4) |
Zn1—Na1—O3—Na1i | 95.1 (16) | Na2Bxi—Na2B—O5B—Na1 | −152 (6) |
P1xiv—Na1—O3—Na1i | −50.5 (17) | O5Bxi—Na2B—O5B—Na1 | 107 (11) |
O2—P1—O4—Zn2xii | −92.7 (6) | Na2Axv—Na2B—O5B—Na1 | −84 (5) |
O3viii—P1—O4—Zn2xii | 149.4 (5) | O2—Na2B—O5B—Na1 | 38 (5) |
O1—P1—O4—Zn2xii | 27.7 (6) | O5A—Na2B—O5B—Na1 | 113 (5) |
Na2B—P1—O4—Zn2xii | −37.5 (19) | O1—Na2B—O5B—Na1 | −9 (11) |
Na1ii—P1—O4—Zn2xii | −155.6 (3) | Na2Aii—Na2B—O5B—Na1 | 172 (3) |
Na1viii—P1—O4—Zn2xii | −164.2 (3) | O5Axi—Na2B—O5B—Na1 | −64 (7) |
O2—P1—O4—Na1xvi | 76.7 (9) | O5Axvii—Na2B—O5B—Na1 | 105 (5) |
O3viii—P1—O4—Na1xvi | −41.1 (9) | Na2Axi—Na2B—O5B—Na2A | −56 (4) |
O1—P1—O4—Na1xvi | −162.9 (8) | Na2Bxi—Na2B—O5B—Na2A | −39 (3) |
Na2B—P1—O4—Na1xvi | 132.0 (19) | O5Bxi—Na2B—O5B—Na2A | −140 (11) |
Na1ii—P1—O4—Na1xvi | 13.8 (10) | Na2Axv—Na2B—O5B—Na2A | 29 (3) |
Na1viii—P1—O4—Na1xvi | 5.3 (9) | O2—Na2B—O5B—Na2A | 151 (5) |
O2—P1—O4—Na1iii | 47.3 (9) | O5A—Na2B—O5B—Na2A | −135 (4) |
O3viii—P1—O4—Na1iii | −70.6 (9) | O1—Na2B—O5B—Na2A | 104 (9) |
O1—P1—O4—Na1iii | 167.7 (7) | Na2Aii—Na2B—O5B—Na2A | −75 (4) |
Na2B—P1—O4—Na1iii | 103 (2) | O5Axi—Na2B—O5B—Na2A | 49 (8) |
Na1ii—P1—O4—Na1iii | −15.7 (9) | O5Axvii—Na2B—O5B—Na2A | −142 (5) |
Na1viii—P1—O4—Na1iii | −24.2 (9) | Na1i—Na1—O5B—O5Bxi | −16 (13) |
P1—O1—Na2A—Na2Axv | 116 (3) | O4ix—Na1—O5B—O5Bxi | −107 (11) |
Zn2—O1—Na2A—Na2Axv | −73 (2) | O3i—Na1—O5B—O5Bxi | 78 (10) |
Na2B—O1—Na2A—Na2Axv | 126 (4) | O4x—Na1—O5B—O5Bxi | −149 (9) |
P1—O1—Na2A—Na2Axi | −71.4 (7) | O3—Na1—O5B—O5Bxi | 9 (10) |
Zn2—O1—Na2A—Na2Axi | 99.5 (6) | O5Axi—Na1—O5B—O5Bxi | 171 (15) |
Na2B—O1—Na2A—Na2Axi | −62 (3) | O2xii—Na1—O5B—O5Bxi | 136 (11) |
Na2Axv—O1—Na2A—Na2Axi | 173 (3) | P1xii—Na1—O5B—O5Bxi | 107 (10) |
P1—O1—Na2A—Na2B | −10 (3) | Zn2xiii—Na1—O5B—O5Bxi | −126 (10) |
Zn2—O1—Na2A—Na2B | 161 (3) | Zn1—Na1—O5B—O5Bxi | 47 (10) |
Na2Axv—O1—Na2A—Na2B | −126 (4) | P1xiv—Na1—O5B—O5Bxi | −14 (10) |
P1—O1—Na2A—Na2Bxi | −21 (4) | Na1i—Na1—O5B—O5Axi | 173 (4) |
Zn2—O1—Na2A—Na2Bxi | 150 (3) | O4ix—Na1—O5B—O5Axi | 82 (5) |
Na2B—O1—Na2A—Na2Bxi | −11 (5) | O3i—Na1—O5B—O5Axi | −93 (5) |
Na2Axv—O1—Na2A—Na2Bxi | −137 (4) | O4x—Na1—O5B—O5Axi | 40 (7) |
P1—O1—Na2A—Na2Bxv | 129 (2) | O3—Na1—O5B—O5Axi | −162 (6) |
Zn2—O1—Na2A—Na2Bxv | −61 (2) | O2xii—Na1—O5B—O5Axi | −35 (5) |
Na2B—O1—Na2A—Na2Bxv | 138 (4) | P1xii—Na1—O5B—O5Axi | −64 (5) |
Na2Axv—O1—Na2A—Na2Bxv | 13 (3) | Zn2xiii—Na1—O5B—O5Axi | 64 (6) |
P1—O1—Na2A—Na2Aii | −75.4 (11) | Zn1—Na1—O5B—O5Axi | −124 (6) |
Zn2—O1—Na2A—Na2Aii | 95.4 (11) | P1xiv—Na1—O5B—O5Axi | 175 (6) |
Na2B—O1—Na2A—Na2Aii | −66 (3) | Na1i—Na1—O5B—Na2Bxi | −158 (9) |
Na2Axv—O1—Na2A—Na2Aii | 169 (3) | O4ix—Na1—O5B—Na2Bxi | 111 (11) |
P1—O1—Na2A—Na2Axii | 122.2 (9) | O3i—Na1—O5B—Na2Bxi | −64 (11) |
Zn2—O1—Na2A—Na2Axii | −67.0 (9) | O4x—Na1—O5B—Na2Bxi | 69 (11) |
Na2B—O1—Na2A—Na2Axii | 132 (3) | O3—Na1—O5B—Na2Bxi | −133 (11) |
Na2Axv—O1—Na2A—Na2Axii | 6 (3) | O5Axi—Na1—O5B—Na2Bxi | 29 (8) |
P1—O1—Na2A—Na2Bxii | 90.2 (16) | O2xii—Na1—O5B—Na2Bxi | −6 (11) |
Zn2—O1—Na2A—Na2Bxii | −99.0 (16) | P1xii—Na1—O5B—Na2Bxi | −35 (11) |
Na2B—O1—Na2A—Na2Bxii | 100 (3) | Zn2xiii—Na1—O5B—Na2Bxi | 92 (10) |
Na2Axv—O1—Na2A—Na2Bxii | −26 (3) | Zn1—Na1—O5B—Na2Bxi | −95 (11) |
P1—O1—Na2A—O1xv | −168.5 (7) | P1xiv—Na1—O5B—Na2Bxi | −156 (11) |
Zn2—O1—Na2A—O1xv | 2.3 (10) | Na1i—Na1—O5B—Na2B | −94 (5) |
Na2B—O1—Na2A—O1xv | −159 (3) | O4ix—Na1—O5B—Na2B | 175 (5) |
Na2Axv—O1—Na2A—O1xv | 76 (3) | O3i—Na1—O5B—Na2B | 0 (5) |
P1—O1—Na2A—O5B | 13 (3) | O4x—Na1—O5B—Na2B | 133 (4) |
Zn2—O1—Na2A—O5B | −176 (2) | O3—Na1—O5B—Na2B | −69 (5) |
Na2B—O1—Na2A—O5B | 23 (4) | O5Axi—Na1—O5B—Na2B | 93 (7) |
Na2Axv—O1—Na2A—O5B | −103 (3) | O2xii—Na1—O5B—Na2B | 58 (5) |
P1—O1—Na2A—Na2Bii | −78.3 (14) | P1xii—Na1—O5B—Na2B | 29 (5) |
Zn2—O1—Na2A—Na2Bii | 92.5 (13) | Zn2xiii—Na1—O5B—Na2B | 156 (4) |
Na2B—O1—Na2A—Na2Bii | −69 (3) | Zn1—Na1—O5B—Na2B | −32 (5) |
Na2Axv—O1—Na2A—Na2Bii | 166 (3) | P1xiv—Na1—O5B—Na2B | −93 (5) |
Na2Axv—Na2A—Na2B—Na2Axi | −167 (4) | Na1i—Na1—O5B—Na2A | −130 (4) |
Na2Bxi—Na2A—Na2B—Na2Axi | 62 (3) | O4ix—Na1—O5B—Na2A | 139 (5) |
Na2Bxv—Na2A—Na2B—Na2Axi | 159 (6) | O3i—Na1—O5B—Na2A | −36 (5) |
Na2Aii—Na2A—Na2B—Na2Axi | 0 (3) | O4x—Na1—O5B—Na2A | 97 (4) |
Na2Axii—Na2A—Na2B—Na2Axi | −161 (4) | O3—Na1—O5B—Na2A | −105 (4) |
Na2Bxii—Na2A—Na2B—Na2Axi | 168 (4) | O5Axi—Na1—O5B—Na2A | 57 (5) |
O1xv—Na2A—Na2B—Na2Axi | −44 (8) | O2xii—Na1—O5B—Na2A | 22 (4) |
O5B—Na2A—Na2B—Na2Axi | 102 (5) | P1xii—Na1—O5B—Na2A | −6 (4) |
O1—Na2A—Na2B—Na2Axi | −109 (3) | Zn2xiii—Na1—O5B—Na2A | 121 (4) |
Na2Bii—Na2A—Na2B—Na2Axi | −22 (3) | Zn1—Na1—O5B—Na2A | −67 (4) |
Na2Axv—Na2A—Na2B—Na2Bxi | 130 (4) | P1xiv—Na1—O5B—Na2A | −128 (4) |
Na2Axi—Na2A—Na2B—Na2Bxi | −62 (3) | Na2Axv—Na2A—O5B—O5Bxi | −143 (12) |
Na2Bxv—Na2A—Na2B—Na2Bxi | 97 (6) | Na2Axi—Na2A—O5B—O5Bxi | 29 (12) |
Na2Aii—Na2A—Na2B—Na2Bxi | −62 (3) | Na2B—Na2A—O5B—O5Bxi | −37 (11) |
Na2Axii—Na2A—Na2B—Na2Bxi | 136 (4) | Na2Bxi—Na2A—O5B—O5Bxi | 77 (13) |
Na2Bxii—Na2A—Na2B—Na2Bxi | 106 (4) | Na2Bxv—Na2A—O5B—O5Bxi | 176 (11) |
O1xv—Na2A—Na2B—Na2Bxi | −106 (8) | Na2Aii—Na2A—O5B—O5Bxi | 33 (12) |
O5B—Na2A—Na2B—Na2Bxi | 40 (4) | Na2Axii—Na2A—O5B—O5Bxi | −142 (11) |
O1—Na2A—Na2B—Na2Bxi | −171 (4) | Na2Bxii—Na2A—O5B—O5Bxi | −150 (12) |
Na2Bii—Na2A—Na2B—Na2Bxi | −85 (3) | O1xv—Na2A—O5B—O5Bxi | 118 (11) |
Na2Axv—Na2A—Na2B—O5Bxi | 109 (5) | O1—Na2A—O5B—O5Bxi | −65 (12) |
Na2Axi—Na2A—Na2B—O5Bxi | −84 (5) | Na2Bii—Na2A—O5B—O5Bxi | 11 (12) |
Na2Bxi—Na2A—Na2B—O5Bxi | −22 (5) | Na2Axv—Na2A—O5B—O5Axi | 27 (8) |
Na2Bxv—Na2A—Na2B—O5Bxi | 76 (7) | Na2Axi—Na2A—O5B—O5Axi | −161 (7) |
Na2Aii—Na2A—Na2B—O5Bxi | −83 (5) | Na2B—Na2A—O5B—O5Axi | 133 (8) |
Na2Axii—Na2A—Na2B—O5Bxi | 115 (5) | Na2Bxi—Na2A—O5B—O5Axi | −112 (8) |
Na2Bxii—Na2A—Na2B—O5Bxi | 84 (6) | Na2Bxv—Na2A—O5B—O5Axi | −14 (7) |
O1xv—Na2A—Na2B—O5Bxi | −128 (8) | Na2Aii—Na2A—O5B—O5Axi | −157 (6) |
O5B—Na2A—Na2B—O5Bxi | 18 (7) | Na2Axii—Na2A—O5B—O5Axi | 28 (7) |
O1—Na2A—Na2B—O5Bxi | 167 (6) | Na2Bxii—Na2A—O5B—O5Axi | 20 (6) |
Na2Bii—Na2A—Na2B—O5Bxi | −106 (5) | O1xv—Na2A—O5B—O5Axi | −72 (8) |
Na2Axv—Na2A—Na2B—O5B | 90 (5) | O1—Na2A—O5B—O5Axi | 105 (6) |
Na2Axi—Na2A—Na2B—O5B | −102 (5) | Na2Bii—Na2A—O5B—O5Axi | −179 (6) |
Na2Bxi—Na2A—Na2B—O5B | −40 (4) | Na2Axv—Na2A—O5B—Na2Bxi | 139 (7) |
Na2Bxv—Na2A—Na2B—O5B | 57 (7) | Na2Axi—Na2A—O5B—Na2Bxi | −49 (4) |
Na2Aii—Na2A—Na2B—O5B | −102 (4) | Na2B—Na2A—O5B—Na2Bxi | −114 (6) |
Na2Axii—Na2A—Na2B—O5B | 96 (4) | Na2Bxv—Na2A—O5B—Na2Bxi | 98 (5) |
Na2Bxii—Na2A—Na2B—O5B | 65 (5) | Na2Aii—Na2A—O5B—Na2Bxi | −45 (4) |
O1xv—Na2A—Na2B—O5B | −146 (7) | Na2Axii—Na2A—O5B—Na2Bxi | 140 (5) |
O1—Na2A—Na2B—O5B | 148 (5) | Na2Bxii—Na2A—O5B—Na2Bxi | 133 (5) |
Na2Bii—Na2A—Na2B—O5B | −125 (4) | O1xv—Na2A—O5B—Na2Bxi | 41 (7) |
Na2Axi—Na2A—Na2B—Na2Axv | 167 (4) | O1—Na2A—O5B—Na2Bxi | −143 (4) |
Na2Bxi—Na2A—Na2B—Na2Axv | −130 (4) | Na2Bii—Na2A—O5B—Na2Bxi | −66 (4) |
Na2Bxv—Na2A—Na2B—Na2Axv | −33 (4) | Na2Axv—Na2A—O5B—Na2B | −106 (7) |
Na2Aii—Na2A—Na2B—Na2Axv | 168.0 (10) | Na2Axi—Na2A—O5B—Na2B | 66 (5) |
Na2Axii—Na2A—Na2B—Na2Axv | 6.0 (5) | Na2Bxi—Na2A—O5B—Na2B | 114 (6) |
Na2Bxii—Na2A—Na2B—Na2Axv | −24.7 (15) | Na2Bxv—Na2A—O5B—Na2B | −147 (4) |
O1xv—Na2A—Na2B—Na2Axv | 124 (9) | Na2Aii—Na2A—O5B—Na2B | 70 (4) |
O5B—Na2A—Na2B—Na2Axv | −90 (5) | Na2Axii—Na2A—O5B—Na2B | −105 (5) |
O1—Na2A—Na2B—Na2Axv | 58 (2) | Na2Bxii—Na2A—O5B—Na2B | −113 (5) |
Na2Bii—Na2A—Na2B—Na2Axv | 145.0 (17) | O1xv—Na2A—O5B—Na2B | 155 (5) |
Na2Axv—Na2A—Na2B—O2 | −37 (7) | O1—Na2A—O5B—Na2B | −28 (4) |
Na2Axi—Na2A—Na2B—O2 | 130 (7) | Na2Bii—Na2A—O5B—Na2B | 48 (4) |
Na2Bxi—Na2A—Na2B—O2 | −168 (8) | Na2Axv—Na2A—O5B—Na1 | −20 (7) |
Na2Bxv—Na2A—Na2B—O2 | −70 (10) | Na2Axi—Na2A—O5B—Na1 | 152 (5) |
Na2Aii—Na2A—Na2B—O2 | 131 (7) | Na2B—Na2A—O5B—Na1 | 86 (6) |
Na2Axii—Na2A—Na2B—O2 | −31 (7) | Na2Bxi—Na2A—O5B—Na1 | −159 (7) |
Na2Bxii—Na2A—Na2B—O2 | −62 (7) | Na2Bxv—Na2A—O5B—Na1 | −61 (5) |
O1xv—Na2A—Na2B—O2 | 86 (11) | Na2Aii—Na2A—O5B—Na1 | 156 (4) |
O5B—Na2A—Na2B—O2 | −127 (8) | Na2Axii—Na2A—O5B—Na1 | −19 (5) |
O1—Na2A—Na2B—O2 | 21 (5) | Na2Bxii—Na2A—O5B—Na1 | −26 (4) |
Na2Bii—Na2A—Na2B—O2 | 108 (7) | O1xv—Na2A—O5B—Na1 | −119 (4) |
Na2Axv—Na2A—Na2B—O5A | 138 (5) | O1—Na2A—O5B—Na1 | 58 (5) |
Na2Axi—Na2A—Na2B—O5A | −54 (5) | Na2Bii—Na2A—O5B—Na1 | 134 (4) |
Symmetry codes: (i) −y−1, −x−1, −z+1/6; (ii) x−y, x, z−1/6; (iii) −x−1, −x+y−1, −z+1/3; (iv) −y, −x, −z+1/6; (v) −x, −x+y, −z+1/3; (vi) −y, −x−1, −z+1/6; (vii) x+1, y, z; (viii) x−y, −y−1, −z; (ix) x−y−1, x, z−1/6; (x) −x−1, −x+y, −z+1/3; (xi) x, x−y, −z−1/6; (xii) y, −x+y, z+1/6; (xiii) x−1, y, z; (xiv) x−y−1, −y−1, −z; (xv) x−y, −y, −z; (xvi) y, −x+y−1, z+1/6; (xvii) y, x, −z−1/3. |