Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803023183/mg6026sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803023183/mg6026Isup2.hkl |
Data collection: SMART (Siemens, 1995); cell refinement: SAINT (Siemens, 1995); data reduction: SAINT (Siemens, 1995) and SADABS (Sheldrick, 2002); program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg, 2000); software used to prepare material for publication: SHELXTL.
K5Na[Ce2(SO4)6] | F(000) = 1020 |
Mr = 1075.09 | Dx = 3.286 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2y | Cell parameters from 7272 reflections |
a = 9.2117 (2) Å | θ = 2.5–32.9° |
b = 16.3725 (4) Å | µ = 5.81 mm−1 |
c = 7.7207 (2) Å | T = 173 K |
β = 111.059 (1)° | Plate, yellow |
V = 1086.65 (5) Å3 | 0.30 × 0.10 × 0.05 mm |
Z = 2 |
Siemens SMART 1K CCD area-detector diffractometer | 1998 independent reflections |
Radiation source: fine-focus sealed tube | 1852 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.032 |
ω scans | θmax = 32.9°, θmin = 2.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | h = −14→13 |
Tmin = 0.269, Tmax = 0.745 | k = −24→24 |
9019 measured reflections | l = −11→11 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: heavy-atom method |
R[F2 > 2σ(F2)] = 0.020 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.051 | w = 1/[σ2(Fo2) + (0.0262P)2 + 2.4852P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.003 |
1998 reflections | Δρmax = 1.28 e Å−3 |
95 parameters | Δρmin = −1.87 e Å−3 |
Experimental. Data were collected at low temperature using a Siemens SMART CCD diffractometer equiped with a LT-2 device. A full sphere of reciprocal space was scanned by 0.3° steps in ω with a crystal–to–detector distance of 3.97 cm, 20 s per frame. Preliminary orientation matrix was obtained from the first 100 frames using SMART (Siemens, 1995). The collected frames were integrated using the preliminary orientation matrix which was updated every 100 frames. Final cell parameters were obtained by refinement on the position of 7272 reflections with I>10σ(I) after integration of all the frames data using SAINT (Siemens, 1995). |
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 | ||
Ce1 | 0.5000 | 0.356299 (10) | 0.5000 | 0.00625 (5) | |
S1 | 0.59615 (8) | 0.5000 | 0.80690 (10) | 0.00636 (12) | |
S2 | 0.12449 (6) | 0.33454 (3) | 0.31516 (7) | 0.00739 (10) | |
O1 | 0.7305 (3) | 0.5000 | 0.9799 (3) | 0.0097 (4) | |
O2 | 0.49980 (18) | 0.42535 (10) | 0.7920 (2) | 0.0091 (3) | |
O3 | 0.0339 (2) | 0.25857 (10) | 0.3055 (2) | 0.0136 (3) | |
O4 | 0.6430 (3) | 0.5000 | 0.6407 (3) | 0.0108 (4) | |
O5 | 0.24202 (19) | 0.31954 (10) | 0.2271 (2) | 0.0106 (3) | |
O6 | 0.2146 (2) | 0.35751 (11) | 0.5105 (2) | 0.0137 (3) | |
O7 | 0.01700 (19) | 0.39974 (10) | 0.2218 (2) | 0.0111 (3) | |
K1 | 0.72215 (6) | 0.34357 (3) | 0.11773 (7) | 0.01226 (9) | |
K2 | 0.0000 | 0.5000 | 0.5000 | 0.0432 (5) | |
Na1 | 0.0000 | 0.5000 | 0.0000 | 0.0085 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce1 | 0.00649 (8) | 0.00635 (8) | 0.00592 (8) | 0.000 | 0.00224 (5) | 0.000 |
S1 | 0.0060 (3) | 0.0060 (3) | 0.0067 (3) | 0.000 | 0.0018 (2) | 0.000 |
S2 | 0.0070 (2) | 0.0067 (2) | 0.0085 (2) | 0.00001 (16) | 0.00274 (17) | 0.00162 (17) |
O1 | 0.0071 (9) | 0.0096 (10) | 0.0093 (10) | 0.000 | −0.0010 (8) | 0.000 |
O2 | 0.0098 (7) | 0.0073 (6) | 0.0115 (7) | −0.0033 (5) | 0.0052 (6) | −0.0016 (6) |
O3 | 0.0116 (7) | 0.0091 (7) | 0.0201 (8) | −0.0027 (6) | 0.0057 (6) | 0.0030 (6) |
O4 | 0.0115 (10) | 0.0123 (10) | 0.0108 (10) | 0.000 | 0.0065 (8) | 0.000 |
O5 | 0.0092 (7) | 0.0114 (7) | 0.0128 (7) | −0.0004 (6) | 0.0059 (6) | −0.0012 (6) |
O6 | 0.0122 (8) | 0.0196 (9) | 0.0081 (7) | −0.0011 (6) | 0.0022 (6) | 0.0000 (6) |
O7 | 0.0097 (7) | 0.0101 (7) | 0.0130 (7) | 0.0020 (6) | 0.0035 (6) | 0.0035 (6) |
K1 | 0.0122 (2) | 0.0130 (2) | 0.0123 (2) | 0.00213 (16) | 0.00534 (17) | 0.00281 (16) |
K2 | 0.1001 (15) | 0.0135 (5) | 0.0316 (7) | 0.000 | 0.0426 (9) | 0.000 |
Na1 | 0.0096 (8) | 0.0092 (8) | 0.0091 (8) | 0.000 | 0.0061 (6) | 0.000 |
Ce1—O3i | 2.4953 (17) | O6—K1iii | 2.7251 (17) |
Ce1—O3ii | 2.4953 (17) | O6—K2 | 3.0400 (18) |
Ce1—O2iii | 2.5225 (16) | O7—Na1 | 2.3363 (16) |
Ce1—O2 | 2.5225 (16) | O7—K1viii | 2.7018 (17) |
Ce1—O5 | 2.6172 (17) | O7—K2 | 2.7523 (17) |
Ce1—O5iii | 2.6172 (17) | K1—O7xii | 2.7018 (17) |
Ce1—O6iii | 2.6594 (18) | K1—O6iii | 2.7252 (17) |
Ce1—O6 | 2.6594 (18) | K1—O2iii | 2.7355 (16) |
Ce1—O4iv | 2.7244 (12) | K1—O1xiii | 2.7849 (10) |
Ce1—O4 | 2.7244 (12) | K1—O5i | 2.7872 (17) |
Ce1—S1iv | 3.2289 (5) | K1—O5xi | 2.8259 (17) |
Ce1—S1 | 3.2289 (5) | K1—O2xiii | 2.9344 (17) |
S1—O1 | 1.459 (2) | K1—O3xii | 3.0484 (18) |
S1—O2v | 1.4904 (16) | K1—O3i | 3.1165 (19) |
S1—O2 | 1.4904 (16) | K1—S1xiii | 3.4152 (7) |
S1—O4 | 1.494 (2) | K1—S2xii | 3.4672 (7) |
S1—Ce1iv | 3.2289 (5) | K1—S2i | 3.5529 (7) |
S1—K1vi | 3.4152 (7) | K2—O7xiv | 2.7523 (17) |
S1—K1vii | 3.4153 (7) | K2—O7v | 2.7523 (17) |
S2—O7 | 1.4583 (17) | K2—O7xv | 2.7523 (17) |
S2—O3 | 1.4849 (17) | K2—O6v | 3.0401 (18) |
S2—O6 | 1.4853 (18) | K2—O6xiv | 3.0401 (18) |
S2—O5 | 1.4909 (17) | K2—O6xv | 3.0401 (18) |
S2—K2 | 3.4447 (5) | K2—S2xiv | 3.4446 (5) |
S2—K1viii | 3.4672 (7) | K2—S2v | 3.4446 (5) |
S2—K1ix | 3.5528 (7) | K2—S2xv | 3.4447 (5) |
O1—Na1x | 2.431 (2) | Na1—O7v | 2.3363 (16) |
O1—K1vi | 2.7849 (10) | Na1—O7xvi | 2.3363 (16) |
O1—K1vii | 2.7849 (10) | Na1—O7xvii | 2.3364 (16) |
O2—K1iii | 2.7355 (16) | Na1—O1iv | 2.431 (2) |
O2—K1vii | 2.9344 (17) | Na1—O1xviii | 2.431 (2) |
O3—Ce1ii | 2.4953 (17) | Na1—K2xiii | 3.8603 (6) |
O3—K1viii | 3.0483 (18) | Na1—K1xix | 3.9507 (5) |
O3—K1ix | 3.1165 (19) | Na1—K1xx | 3.9507 (5) |
O4—Ce1iv | 2.7244 (12) | Na1—K1viii | 3.9507 (5) |
O5—K1ix | 2.7872 (17) | Na1—K1xi | 3.9507 (5) |
O5—K1xi | 2.8259 (17) | ||
O3i—Ce1—O3ii | 82.18 (8) | O5i—K1—O2xiii | 130.28 (5) |
O3i—Ce1—O2iii | 76.08 (6) | O5xi—K1—O2xiii | 62.47 (5) |
O3ii—Ce1—O2iii | 156.36 (6) | O7xii—K1—O3xii | 48.66 (5) |
O3i—Ce1—O2 | 156.36 (6) | O6iii—K1—O3xii | 74.28 (5) |
O3ii—Ce1—O2 | 76.08 (6) | O2iii—K1—O3xii | 139.90 (5) |
O2iii—Ce1—O2 | 126.75 (7) | O1xiii—K1—O3xii | 116.80 (6) |
O3i—Ce1—O5 | 67.42 (5) | O5i—K1—O3xii | 58.02 (5) |
O3ii—Ce1—O5 | 92.14 (5) | O5xi—K1—O3xii | 88.60 (5) |
O2iii—Ce1—O5 | 71.08 (5) | O2xiii—K1—O3xii | 149.77 (5) |
O2—Ce1—O5 | 122.03 (5) | O7xii—K1—O3i | 135.42 (5) |
O3i—Ce1—O5iii | 92.14 (5) | O6iii—K1—O3i | 59.95 (5) |
O3ii—Ce1—O5iii | 67.42 (5) | O2iii—K1—O3i | 63.40 (5) |
O2iii—Ce1—O5iii | 122.03 (5) | O1xiii—K1—O3i | 140.14 (6) |
O2—Ce1—O5iii | 71.08 (5) | O5i—K1—O3i | 48.07 (5) |
O5—Ce1—O5iii | 153.41 (7) | O5xi—K1—O3i | 129.53 (5) |
O3i—Ce1—O6iii | 69.41 (5) | O2xiii—K1—O3i | 108.04 (5) |
O3ii—Ce1—O6iii | 111.27 (6) | O3xii—K1—O3i | 96.91 (4) |
O2iii—Ce1—O6iii | 69.58 (5) | O7xii—K1—S1xiii | 90.30 (4) |
O2—Ce1—O6iii | 110.01 (5) | O6iii—K1—S1xiii | 124.56 (4) |
O5—Ce1—O6iii | 126.78 (5) | O2iii—K1—S1xiii | 73.48 (4) |
O5iii—Ce1—O6iii | 53.46 (5) | O1xiii—K1—S1xiii | 24.64 (4) |
O3i—Ce1—O6 | 111.27 (6) | O5i—K1—S1xiii | 154.19 (4) |
O3ii—Ce1—O6 | 69.41 (5) | O5xi—K1—S1xiii | 64.38 (4) |
O2iii—Ce1—O6 | 110.01 (5) | O2xiii—K1—S1xiii | 25.75 (3) |
O2—Ce1—O6 | 69.58 (5) | O3xii—K1—S1xiii | 134.49 (4) |
O5—Ce1—O6 | 53.46 (5) | O3i—K1—S1xiii | 128.60 (4) |
O5iii—Ce1—O6 | 126.78 (5) | O7xii—K1—S2xii | 23.40 (4) |
O6iii—Ce1—O6 | 179.15 (8) | O6iii—K1—S2xii | 75.54 (4) |
O3i—Ce1—O4iv | 123.92 (6) | O2iii—K1—S2xii | 133.44 (4) |
O3ii—Ce1—O4iv | 138.05 (6) | O1xiii—K1—S2xii | 92.02 (5) |
O2iii—Ce1—O4iv | 54.00 (6) | O5i—K1—S2xii | 83.25 (4) |
O2—Ce1—O4iv | 79.27 (6) | O5xi—K1—S2xii | 86.56 (4) |
O5—Ce1—O4iv | 73.05 (6) | O2xiii—K1—S2xii | 134.66 (4) |
O5iii—Ce1—O4iv | 133.52 (6) | O3xii—K1—S2xii | 25.31 (3) |
O6iii—Ce1—O4iv | 108.85 (6) | O3i—K1—S2xii | 117.27 (4) |
O6—Ce1—O4iv | 70.37 (6) | S1xiii—K1—S2xii | 112.37 (2) |
O3i—Ce1—O4 | 138.05 (6) | O7xii—K1—S2i | 122.29 (4) |
O3ii—Ce1—O4 | 123.92 (6) | O6iii—K1—S2i | 66.93 (4) |
O2iii—Ce1—O4 | 79.27 (6) | O2iii—K1—S2i | 87.98 (4) |
O2—Ce1—O4 | 54.00 (6) | O1xiii—K1—S2i | 164.75 (5) |
O5—Ce1—O4 | 133.52 (6) | O5i—K1—S2i | 23.46 (3) |
O5iii—Ce1—O4 | 73.05 (6) | O5xi—K1—S2i | 115.04 (4) |
O6iii—Ce1—O4 | 70.37 (6) | O2xiii—K1—S2i | 122.40 (3) |
O6—Ce1—O4 | 108.85 (6) | O3xii—K1—S2i | 76.21 (3) |
O4iv—Ce1—O4 | 60.56 (9) | O3i—K1—S2i | 24.63 (3) |
O3i—Ce1—S1iv | 99.68 (4) | S1xiii—K1—S2i | 147.40 (2) |
O3ii—Ce1—S1iv | 158.46 (4) | S2xii—K1—S2i | 99.896 (16) |
O2iii—Ce1—S1iv | 26.58 (4) | O7—K2—O7xiv | 180.0 |
O2—Ce1—S1iv | 103.96 (4) | O7—K2—O7v | 73.23 (7) |
O5—Ce1—S1iv | 69.30 (4) | O7xiv—K2—O7v | 106.77 (7) |
O5iii—Ce1—S1iv | 133.51 (4) | O7—K2—O7xv | 106.77 (7) |
O6iii—Ce1—S1iv | 89.18 (4) | O7xiv—K2—O7xv | 73.23 (7) |
O6—Ce1—S1iv | 90.20 (4) | O7v—K2—O7xv | 180.0 |
O4iv—Ce1—S1iv | 27.42 (5) | O7—K2—O6 | 49.03 (5) |
O4—Ce1—S1iv | 68.23 (5) | O7xiv—K2—O6 | 130.97 (5) |
O3i—Ce1—S1 | 158.46 (4) | O7v—K2—O6 | 105.06 (5) |
O3ii—Ce1—S1 | 99.68 (4) | O7xv—K2—O6 | 74.94 (5) |
O2iii—Ce1—S1 | 103.96 (4) | O7—K2—O6v | 105.06 (5) |
O2—Ce1—S1 | 26.59 (4) | O7xiv—K2—O6v | 74.94 (5) |
O5—Ce1—S1 | 133.51 (4) | O7v—K2—O6v | 49.03 (5) |
O5iii—Ce1—S1 | 69.30 (4) | O7xv—K2—O6v | 130.97 (5) |
O6iii—Ce1—S1 | 90.20 (4) | O6—K2—O6v | 100.25 (7) |
O6—Ce1—S1 | 89.18 (4) | O7—K2—O6xiv | 130.97 (5) |
O4iv—Ce1—S1 | 68.23 (5) | O7xiv—K2—O6xiv | 49.03 (5) |
O4—Ce1—S1 | 27.42 (5) | O7v—K2—O6xiv | 74.94 (5) |
S1iv—Ce1—S1 | 86.455 (19) | O7xv—K2—O6xiv | 105.06 (5) |
O1—S1—O2v | 110.88 (8) | O6—K2—O6xiv | 180.00 (7) |
O1—S1—O2 | 110.88 (8) | O6v—K2—O6xiv | 79.76 (7) |
O2v—S1—O2 | 110.18 (13) | O7—K2—O6xv | 74.94 (5) |
O1—S1—O4 | 112.00 (14) | O7xiv—K2—O6xv | 105.06 (5) |
O2v—S1—O4 | 106.35 (8) | O7v—K2—O6xv | 130.97 (5) |
O2—S1—O4 | 106.35 (8) | O7xv—K2—O6xv | 49.03 (5) |
O1—S1—Ce1iv | 126.21 (4) | O6—K2—O6xv | 79.75 (7) |
O2v—S1—Ce1iv | 49.24 (6) | O6v—K2—O6xv | 180.0 |
O2—S1—Ce1iv | 122.83 (7) | O6xiv—K2—O6xv | 100.25 (7) |
O4—S1—Ce1iv | 57.13 (5) | O7—K2—S2xiv | 155.94 (3) |
O1—S1—Ce1 | 126.21 (4) | O7xiv—K2—S2xiv | 24.06 (3) |
O2v—S1—Ce1 | 122.83 (7) | O7v—K2—S2xiv | 88.57 (4) |
O2—S1—Ce1 | 49.24 (6) | O7xv—K2—S2xiv | 91.43 (4) |
O4—S1—Ce1 | 57.13 (5) | O6—K2—S2xiv | 154.49 (3) |
Ce1iv—S1—Ce1 | 93.545 (19) | O6v—K2—S2xiv | 72.27 (3) |
O1—S1—K1vi | 52.72 (3) | O6xiv—K2—S2xiv | 25.51 (3) |
O2v—S1—K1vi | 58.80 (7) | O6xv—K2—S2xiv | 107.73 (3) |
O2—S1—K1vi | 135.38 (7) | O7—K2—S2v | 91.43 (4) |
O4—S1—K1vi | 118.26 (5) | O7xiv—K2—S2v | 88.57 (4) |
Ce1iv—S1—K1vi | 84.469 (9) | O7v—K2—S2v | 24.06 (3) |
Ce1—S1—K1vi | 175.14 (2) | O7xv—K2—S2v | 155.94 (3) |
O1—S1—K1vii | 52.72 (3) | O6—K2—S2v | 107.73 (3) |
O2v—S1—K1vii | 135.38 (7) | O6v—K2—S2v | 25.51 (3) |
O2—S1—K1vii | 58.80 (7) | O6xiv—K2—S2v | 72.27 (3) |
O4—S1—K1vii | 118.26 (5) | O6xv—K2—S2v | 154.49 (3) |
Ce1iv—S1—K1vii | 175.14 (2) | S2xiv—K2—S2v | 76.300 (17) |
Ce1—S1—K1vii | 84.468 (9) | O7—K2—S2xv | 88.57 (4) |
K1vi—S1—K1vii | 97.16 (2) | O7xiv—K2—S2xv | 91.43 (4) |
O7—S2—O3 | 108.59 (10) | O7v—K2—S2xv | 155.94 (3) |
O7—S2—O6 | 110.44 (10) | O7xv—K2—S2xv | 24.06 (3) |
O3—S2—O6 | 111.23 (10) | O6—K2—S2xv | 72.27 (3) |
O7—S2—O5 | 111.75 (10) | O6v—K2—S2xv | 154.49 (3) |
O3—S2—O5 | 109.04 (10) | O6xiv—K2—S2xv | 107.73 (3) |
O6—S2—O5 | 105.80 (10) | O6xv—K2—S2xv | 25.51 (3) |
O7—S2—Ce1 | 124.25 (7) | S2xiv—K2—S2xv | 103.700 (17) |
O3—S2—Ce1 | 127.14 (7) | S2v—K2—S2xv | 180.0 |
O6—S2—Ce1 | 53.74 (7) | O7—K2—S2 | 24.06 (3) |
O5—S2—Ce1 | 52.13 (7) | O7xiv—K2—S2 | 155.94 (3) |
O7—S2—K2 | 50.30 (7) | O7v—K2—S2 | 91.43 (4) |
O3—S2—K2 | 114.51 (7) | O7xv—K2—S2 | 88.57 (4) |
O6—S2—K2 | 61.83 (7) | O6—K2—S2 | 25.51 (3) |
O5—S2—K2 | 136.28 (7) | O6v—K2—S2 | 107.73 (3) |
Ce1—S2—K2 | 101.068 (14) | O6xiv—K2—S2 | 154.49 (3) |
O7—S2—K1viii | 47.37 (7) | O6xv—K2—S2 | 72.27 (3) |
O3—S2—K1viii | 61.37 (7) | S2xiv—K2—S2 | 180.000 (11) |
O6—S2—K1viii | 123.69 (7) | S2v—K2—S2 | 103.700 (17) |
O5—S2—K1viii | 130.03 (7) | S2xv—K2—S2 | 76.300 (17) |
Ce1—S2—K1viii | 171.27 (2) | O7—Na1—O7v | 89.27 (8) |
K2—S2—K1viii | 71.711 (13) | O7—Na1—O7xvi | 180.0 |
O7—S2—K1ix | 128.34 (7) | O7v—Na1—O7xvi | 90.72 (8) |
O3—S2—K1ix | 61.00 (7) | O7—Na1—O7xvii | 90.72 (8) |
O6—S2—K1ix | 120.55 (7) | O7v—Na1—O7xvii | 180.0 |
O5—S2—K1ix | 48.09 (7) | O7xvi—Na1—O7xvii | 89.28 (8) |
Ce1—S2—K1ix | 83.386 (14) | O7—Na1—O1iv | 98.93 (5) |
K2—S2—K1ix | 175.236 (18) | O7v—Na1—O1iv | 98.94 (5) |
K1viii—S2—K1ix | 103.996 (18) | O7xvi—Na1—O1iv | 81.06 (5) |
S1—O1—Na1x | 124.70 (13) | O7xvii—Na1—O1iv | 81.06 (5) |
S1—O1—K1vi | 102.65 (6) | O7—Na1—O1xviii | 81.06 (5) |
Na1x—O1—K1vi | 98.25 (5) | O7v—Na1—O1xviii | 81.06 (5) |
S1—O1—K1vii | 102.65 (6) | O7xvi—Na1—O1xviii | 98.94 (5) |
Na1x—O1—K1vii | 98.25 (5) | O7xvii—Na1—O1xviii | 98.94 (5) |
K1vi—O1—K1vii | 133.74 (9) | O1iv—Na1—O1xviii | 180.00 (11) |
S1—O2—Ce1 | 104.18 (8) | O7—Na1—K2xiii | 135.14 (4) |
S1—O2—K1iii | 149.38 (9) | O7v—Na1—K2xiii | 135.14 (4) |
Ce1—O2—K1iii | 104.42 (5) | O7xvi—Na1—K2xiii | 44.86 (4) |
S1—O2—K1vii | 95.46 (8) | O7xvii—Na1—K2xiii | 44.86 (4) |
Ce1—O2—K1vii | 109.70 (6) | O1iv—Na1—K2xiii | 72.35 (5) |
K1iii—O2—K1vii | 85.05 (5) | O1xviii—Na1—K2xiii | 107.65 (5) |
S2—O3—Ce1ii | 142.25 (11) | O7—Na1—K2 | 44.86 (4) |
S2—O3—K1viii | 93.32 (8) | O7v—Na1—K2 | 44.86 (4) |
Ce1ii—O3—K1viii | 109.28 (6) | O7xvi—Na1—K2 | 135.14 (4) |
S2—O3—K1ix | 94.37 (8) | O7xvii—Na1—K2 | 135.14 (4) |
Ce1ii—O3—K1ix | 94.95 (5) | O1iv—Na1—K2 | 107.65 (5) |
K1viii—O3—K1ix | 127.62 (6) | O1xviii—Na1—K2 | 72.35 (5) |
S1—O4—Ce1iv | 95.44 (7) | K2xiii—Na1—K2 | 180.0 |
S1—O4—Ce1 | 95.44 (7) | O7—Na1—K1xix | 138.22 (4) |
Ce1iv—O4—Ce1 | 119.44 (9) | O7v—Na1—K1xix | 80.49 (4) |
S2—O5—Ce1 | 101.15 (8) | O7xvi—Na1—K1xix | 41.78 (4) |
S2—O5—K1ix | 108.46 (8) | O7xvii—Na1—K1xix | 99.51 (4) |
Ce1—O5—K1ix | 113.95 (6) | O1iv—Na1—K1xix | 44.24 (2) |
S2—O5—K1xi | 139.14 (9) | O1xviii—Na1—K1xix | 135.76 (2) |
Ce1—O5—K1xi | 110.29 (6) | K2xiii—Na1—K1xix | 62.427 (7) |
K1ix—O5—K1xi | 82.24 (5) | K2—Na1—K1xix | 117.573 (7) |
S2—O6—Ce1 | 99.49 (8) | O7—Na1—K1xx | 99.51 (4) |
S2—O6—K1iii | 151.45 (10) | O7v—Na1—K1xx | 41.78 (4) |
Ce1—O6—K1iii | 101.07 (6) | O7xvi—Na1—K1xx | 80.49 (4) |
S2—O6—K2 | 92.65 (8) | O7xvii—Na1—K1xx | 138.22 (4) |
Ce1—O6—K2 | 130.19 (7) | O1iv—Na1—K1xx | 135.76 (2) |
K1iii—O6—K2 | 89.04 (5) | O1xviii—Na1—K1xx | 44.24 (2) |
S2—O7—Na1 | 137.00 (10) | K2xiii—Na1—K1xx | 117.573 (7) |
S2—O7—K1viii | 109.23 (9) | K2—Na1—K1xx | 62.427 (7) |
Na1—O7—K1viii | 103.05 (6) | K1xix—Na1—K1xx | 99.180 (15) |
S2—O7—K2 | 105.64 (8) | O7—Na1—K1viii | 41.78 (4) |
Na1—O7—K2 | 98.36 (6) | O7v—Na1—K1viii | 99.51 (4) |
K1viii—O7—K2 | 95.85 (5) | O7xvi—Na1—K1viii | 138.22 (4) |
O7xii—K1—O6iii | 81.18 (5) | O7xvii—Na1—K1viii | 80.49 (4) |
O7xii—K1—O2iii | 121.42 (5) | O1iv—Na1—K1viii | 135.76 (2) |
O6iii—K1—O2iii | 65.62 (5) | O1xviii—Na1—K1viii | 44.24 (2) |
O7xii—K1—O1xiii | 68.76 (6) | K2xiii—Na1—K1viii | 117.573 (8) |
O6iii—K1—O1xiii | 107.49 (6) | K2—Na1—K1viii | 62.427 (7) |
O2iii—K1—O1xiii | 76.88 (6) | K1xix—Na1—K1viii | 180.0 |
O7xii—K1—O5i | 106.65 (5) | K1xx—Na1—K1viii | 80.821 (15) |
O6iii—K1—O5i | 78.18 (5) | O7—Na1—K1xi | 80.49 (4) |
O2iii—K1—O5i | 111.43 (5) | O7v—Na1—K1xi | 138.22 (4) |
O1xiii—K1—O5i | 171.55 (6) | O7xvi—Na1—K1xi | 99.51 (4) |
O7xii—K1—O5xi | 83.24 (5) | O7xvii—Na1—K1xi | 41.78 (4) |
O6iii—K1—O5xi | 161.96 (5) | O1iv—Na1—K1xi | 44.24 (2) |
O2iii—K1—O5xi | 131.25 (5) | O1xviii—Na1—K1xi | 135.76 (2) |
O1xiii—K1—O5xi | 74.90 (6) | K2xiii—Na1—K1xi | 62.427 (7) |
O5i—K1—O5xi | 97.76 (5) | K2—Na1—K1xi | 117.573 (7) |
O7xii—K1—O2xiii | 114.65 (5) | K1xix—Na1—K1xi | 80.821 (15) |
O6iii—K1—O2xiii | 133.13 (5) | K1xx—Na1—K1xi | 180.0 |
O2iii—K1—O2xiii | 68.88 (6) | K1viii—Na1—K1xi | 99.179 (15) |
O1xiii—K1—O2xiii | 50.18 (5) |
Symmetry codes: (i) x+1/2, −y+1/2, z; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x+1, y, −z+1; (iv) −x+1, −y+1, −z+1; (v) x, −y+1, z; (vi) x, −y+1, z+1; (vii) x, y, z+1; (viii) x−1, y, z; (ix) x−1/2, −y+1/2, z; (x) x+1, y, z+1; (xi) −x+1, y, −z; (xii) x+1, y, z; (xiii) x, y, z−1; (xiv) −x, −y+1, −z+1; (xv) −x, y, −z+1; (xvi) −x, −y+1, −z; (xvii) −x, y, −z; (xviii) x−1, y, z−1; (xix) −x+1, −y+1, −z; (xx) x−1, −y+1, z. |