research papers
Alkali copper sulfates form a rapidly developing family of inorganics. Herein, we report synthesis and crystal structure, and evaluate possible ion migration pathways for a novel Na-K-Cu anhydrous sulfate, K(Na,K)Na2[Cu2(SO4)4]. The CuO7 and SO4 polyhedra share common vertices and edges to form [Cu2(SO4)4]4− wide ribbons, which link to each other via common oxygen atoms forming the host part of the structure. Four guest alkali sites are occupied by solely K+, mixture of K+ and Na+, and solely Na+, which agrees well with the size of the cavities. The crystal structure of K(Na,K)Na2[Cu2(SO4)4] contains two symmetry-independent Cu sites with [4+1+(2)] coordination environments. The overall coordination polyhedra of Cu2+ can be considered as `octahedra with one split vertex'. A similar coordination mode was observed also in some other multinary copper sulfates, mostly of the mineral world. These coordination modes were reviewed and five types of CuO7 polyhedra are identified. CuO7 polyhedra are almost restricted to copper sulfates and phosphates. It was found that a larger amount of the smaller SO42− and PO43− anions can cluster around a single Cu2+ cation; in addition, for such relatively small anions, both mono (κ1) and bidentate (κ2) coordination modes to the Cu2+ are possible. The correlation between crystallographic characteristics and bond valence energies showed that the new copper sulfate framework, [Cu2(SO4)4]4−, contains one interconnected path suitable for Na+ mobility at tolerable activation energies and that K(Na,K)Na2[Cu2(SO4)4] can be considered as a potential candidate for novel Na-ion conductors.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520621010350/rm5054sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520621010350/rm5054Isup2.hkl |
CCDC reference: 2114165
(I) top
Crystal data top
Cu8K5.13Na10.87O64S16 | F(000) = 1217 |
Mr = 2495.76 | Dx = 2.920 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 12.5085 (9) Å | Cell parameters from 1760 reflections |
b = 9.3166 (7) Å | θ = 2.8–28.0° |
c = 12.7894 (10) Å | µ = 4.13 mm−1 |
β = 107.775 (2)° | T = 296 K |
V = 1419.28 (19) Å3 | Prism |
Z = 1 | 0.10 × 0.10 × 0.05 mm |
Data collection top
Bruker Apex II Duo diffractometer | Rint = 0.041 |
Absorption correction: multi-scan | θmax = 28.0°, θmin = 2.8° |
h = −16→16 | |
13295 measured reflections | k = −12→12 |
3393 independent reflections | l = −16→13 |
2656 reflections with I > 2σ(I) |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0358P)2 + 1.0736P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.030 | (Δ/σ)max = 0.001 |
wR(F2) = 0.077 | Δρmax = 0.54 e Å−3 |
S = 1.02 | Δρmin = −0.65 e Å−3 |
3393 reflections | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
237 parameters | Extinction coefficient: 0.00090 (19) |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cu1 | 0.43543 (3) | 0.59355 (4) | 0.81573 (3) | 0.01214 (11) | |
Cu2 | 0.18205 (3) | 0.89881 (4) | 0.55924 (3) | 0.01240 (11) | |
K1 | 0.29227 (6) | 0.25219 (8) | 0.70496 (6) | 0.02114 (18) | |
Na1 | −0.08168 (10) | 0.76871 (15) | 0.08627 (11) | 0.0204 (3) | |
Na2 | 0.43127 (10) | 0.77780 (15) | 0.06462 (11) | 0.0192 (3) | |
Na3 | 0.15076 (11) | 0.6620 (2) | 0.33753 (13) | 0.0590 (8) | 0.718 (11) |
K2 | 0.15076 (11) | 0.6620 (2) | 0.33753 (13) | 0.0590 (8) | 0.282 (11) |
S1 | 0.38967 (6) | 0.90637 (8) | 0.79088 (6) | 0.01092 (16) | |
S2 | 0.64429 (5) | 0.59305 (8) | 0.03189 (6) | 0.01061 (16) | |
S3 | 0.19659 (6) | 0.58760 (8) | 0.61760 (7) | 0.01284 (17) | |
S4 | −0.03802 (6) | 0.91496 (9) | 0.35754 (7) | 0.01321 (17) | |
O1 | −0.11108 (17) | 0.9147 (2) | 0.43257 (18) | 0.0152 (5) | |
O2 | 0.57170 (16) | 0.5868 (2) | 0.10673 (18) | 0.0130 (5) | |
O3 | 0.67918 (18) | 0.4464 (3) | 0.0165 (2) | 0.0194 (5) | |
O4 | 0.44032 (17) | 0.7839 (2) | 0.74766 (18) | 0.0138 (5) | |
O5 | 0.73711 (18) | 0.6891 (3) | 0.0775 (2) | 0.0202 (5) | |
O6 | 0.23987 (17) | 0.7019 (2) | 0.55722 (19) | 0.0163 (5) | |
O7 | 0.28093 (18) | 0.9451 (3) | 0.7094 (2) | 0.0216 (5) | |
O8 | −0.08985 (18) | 0.8266 (3) | 0.2628 (2) | 0.0220 (5) | |
O9 | 0.07051 (18) | 0.8473 (3) | 0.4202 (2) | 0.0234 (6) | |
O10 | 0.57326 (18) | 0.6548 (3) | 0.92613 (19) | 0.0184 (5) | |
O11 | 0.3676 (2) | 0.8640 (3) | 0.8916 (2) | 0.0236 (6) | |
O12 | 0.46516 (19) | 1.0300 (3) | 0.8061 (2) | 0.0199 (5) | |
O13 | −0.0224 (2) | 1.0626 (3) | 0.3289 (2) | 0.0268 (6) | |
O14 | 0.1579 (2) | 0.4664 (3) | 0.5457 (2) | 0.0288 (6) | |
O15 | 0.29260 (19) | 0.5395 (3) | 0.7116 (2) | 0.0270 (6) | |
O16 | 0.1112 (2) | 0.6511 (3) | 0.6580 (2) | 0.0298 (6) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.01297 (17) | 0.0105 (2) | 0.0118 (2) | −0.00037 (13) | 0.00202 (14) | 0.00210 (15) |
Cu2 | 0.01131 (17) | 0.0111 (2) | 0.0138 (2) | 0.00183 (13) | 0.00241 (14) | −0.00013 (16) |
K1 | 0.0225 (3) | 0.0141 (4) | 0.0247 (4) | −0.0003 (3) | 0.0041 (3) | −0.0026 (3) |
Na1 | 0.0178 (6) | 0.0240 (8) | 0.0185 (7) | −0.0012 (5) | 0.0044 (5) | −0.0026 (6) |
Na2 | 0.0188 (6) | 0.0233 (8) | 0.0146 (7) | 0.0026 (5) | 0.0038 (5) | 0.0028 (6) |
Na3 | 0.0324 (8) | 0.0979 (16) | 0.0397 (10) | 0.0199 (8) | 0.0005 (6) | −0.0420 (10) |
K2 | 0.0324 (8) | 0.0979 (16) | 0.0397 (10) | 0.0199 (8) | 0.0005 (6) | −0.0420 (10) |
S1 | 0.0132 (3) | 0.0100 (4) | 0.0093 (4) | −0.0002 (3) | 0.0030 (3) | 0.0008 (3) |
S2 | 0.0104 (3) | 0.0112 (4) | 0.0101 (4) | −0.0005 (3) | 0.0029 (3) | 0.0000 (3) |
S3 | 0.0115 (3) | 0.0093 (4) | 0.0159 (4) | 0.0003 (3) | 0.0015 (3) | 0.0011 (3) |
S4 | 0.0111 (3) | 0.0132 (4) | 0.0135 (4) | 0.0013 (3) | 0.0011 (3) | −0.0025 (3) |
O1 | 0.0175 (10) | 0.0146 (12) | 0.0133 (12) | 0.0045 (8) | 0.0043 (9) | −0.0005 (9) |
O2 | 0.0151 (9) | 0.0128 (12) | 0.0130 (11) | 0.0011 (8) | 0.0072 (9) | 0.0001 (9) |
O3 | 0.0199 (11) | 0.0165 (13) | 0.0239 (13) | 0.0018 (9) | 0.0098 (9) | −0.0030 (10) |
O4 | 0.0181 (10) | 0.0099 (11) | 0.0142 (11) | 0.0022 (8) | 0.0061 (8) | 0.0021 (9) |
O5 | 0.0150 (10) | 0.0236 (14) | 0.0198 (13) | −0.0082 (9) | 0.0022 (9) | −0.0018 (11) |
O6 | 0.0175 (10) | 0.0117 (12) | 0.0205 (13) | 0.0023 (8) | 0.0071 (9) | 0.0039 (10) |
O7 | 0.0179 (10) | 0.0217 (14) | 0.0201 (13) | 0.0079 (9) | −0.0018 (9) | −0.0048 (11) |
O8 | 0.0193 (11) | 0.0294 (15) | 0.0162 (13) | −0.0020 (10) | 0.0035 (9) | −0.0103 (11) |
O9 | 0.0151 (10) | 0.0251 (14) | 0.0235 (14) | 0.0080 (9) | −0.0037 (9) | −0.0075 (11) |
O10 | 0.0206 (10) | 0.0170 (13) | 0.0131 (12) | −0.0044 (9) | −0.0015 (9) | 0.0058 (10) |
O11 | 0.0325 (13) | 0.0258 (15) | 0.0174 (13) | 0.0046 (10) | 0.0150 (11) | 0.0063 (11) |
O12 | 0.0233 (11) | 0.0136 (13) | 0.0229 (13) | −0.0070 (9) | 0.0071 (9) | −0.0035 (10) |
O13 | 0.0272 (12) | 0.0164 (14) | 0.0391 (17) | −0.0024 (10) | 0.0133 (11) | 0.0041 (12) |
O14 | 0.0339 (13) | 0.0184 (14) | 0.0279 (15) | −0.0068 (11) | 0.0002 (11) | −0.0078 (12) |
O15 | 0.0231 (11) | 0.0181 (13) | 0.0300 (15) | −0.0057 (10) | −0.0063 (10) | 0.0108 (12) |
O16 | 0.0291 (13) | 0.0257 (15) | 0.0435 (18) | 0.0059 (11) | 0.0241 (12) | 0.0031 (13) |
Geometric parameters (Å, º) top
Cu1—O15 | 1.941 (2) | Na1—S4ix | 3.6005 (16) |
Cu1—O10 | 1.951 (2) | Na1—S4 | 3.6103 (16) |
Cu1—O2i | 1.967 (2) | Na1—S3x | 3.6354 (14) |
Cu1—O4 | 1.985 (2) | Na1—S2viii | 3.6682 (14) |
Cu1—O12ii | 2.347 (2) | Na1—Na3 | 3.750 (2) |
Cu1—O11 | 2.918 (3) | Na2—O11xii | 2.258 (3) |
Cu1—O3i | 2.946 (2) | Na2—O6x | 2.374 (2) |
Cu1—S1 | 2.9684 (9) | Na2—O4x | 2.379 (3) |
Cu1—S2i | 3.0002 (9) | Na2—O2 | 2.442 (2) |
Cu1—S2iii | 3.1715 (8) | Na2—O12xiii | 2.512 (3) |
Cu1—S3 | 3.2753 (8) | Na2—O3xiv | 2.544 (3) |
Cu1—S1ii | 3.3923 (8) | Na2—O10xii | 3.086 (3) |
Cu2—O9 | 1.956 (2) | Na2—S2 | 3.3044 (15) |
Cu2—O1iv | 1.969 (2) | Na2—O15x | 3.381 (3) |
Cu2—O6 | 1.975 (2) | Na2—S3x | 3.4443 (15) |
Cu2—O7 | 1.989 (2) | Na2—S1x | 3.5366 (16) |
Cu2—O3v | 2.274 (2) | Na2—S1xii | 3.5846 (16) |
Cu2—O13iv | 2.813 (3) | Na3—O9 | 2.398 (3) |
Cu2—O16 | 2.897 (3) | Na3—O13ix | 2.425 (3) |
Cu2—S4iv | 2.9257 (9) | Na3—O11x | 2.598 (3) |
Cu2—S3 | 2.9856 (9) | Na3—O6 | 2.714 (3) |
Cu2—S4 | 3.1495 (8) | Na3—O16x | 2.802 (4) |
Cu2—S1 | 3.2907 (8) | Na3—O7x | 2.821 (3) |
Cu2—S2v | 3.3012 (9) | Na3—O14 | 3.204 (4) |
K1—O15 | 2.678 (3) | Na3—O8 | 3.251 (3) |
K1—O8vi | 2.785 (2) | Na3—S1x | 3.2836 (16) |
K1—O10ii | 2.861 (2) | Na3—S4ix | 3.3710 (17) |
K1—O1vi | 2.866 (2) | Na3—O8ix | 3.376 (3) |
K1—O7vii | 2.866 (3) | Na3—S4 | 3.4004 (17) |
K1—O2i | 2.906 (2) | Na3—S3 | 3.519 (2) |
K1—O5i | 2.967 (3) | S1—O11 | 1.452 (3) |
K1—O14 | 2.978 (3) | S1—O12 | 1.464 (2) |
K1—O12vii | 2.988 (3) | S1—O7 | 1.483 (2) |
K1—O4ii | 3.226 (2) | S1—O4 | 1.491 (2) |
K1—S4vi | 3.4097 (10) | S2—O5 | 1.441 (2) |
K1—S3 | 3.4102 (11) | S2—O3 | 1.466 (2) |
K1—S1vii | 3.5007 (11) | S2—O10xii | 1.489 (2) |
K1—S2i | 3.5220 (11) | S2—O2 | 1.508 (2) |
Na1—O8 | 2.354 (3) | S3—O14 | 1.443 (3) |
Na1—O5viii | 2.355 (2) | S3—O16 | 1.447 (3) |
Na1—O13ix | 2.387 (3) | S3—O15 | 1.486 (2) |
Na1—O16x | 2.423 (3) | S3—O6 | 1.510 (2) |
Na1—O14xi | 2.483 (3) | S4—O8 | 1.444 (2) |
Na1—O1x | 2.545 (3) | S4—O13 | 1.452 (3) |
Na1—O9x | 3.431 (3) | S4—O9 | 1.489 (2) |
Na1—S4x | 3.5720 (16) | S4—O1 | 1.514 (2) |
O15—Cu1—O10 | 176.08 (12) | S4ix—Na3—S4 | 112.69 (4) |
O15—Cu1—O2i | 87.15 (10) | O8ix—Na3—S4 | 126.07 (6) |
O10—Cu1—O2i | 92.93 (9) | O9—Na3—Cu2 | 32.03 (6) |
O15—Cu1—O4 | 94.37 (10) | O13ix—Na3—Cu2 | 145.87 (8) |
O10—Cu1—O4 | 85.26 (9) | O11x—Na3—Cu2 | 89.64 (7) |
O2i—Cu1—O4 | 175.34 (9) | O6—Na3—Cu2 | 33.92 (5) |
O15—Cu1—O12ii | 92.41 (11) | O16x—Na3—Cu2 | 102.66 (8) |
O10—Cu1—O12ii | 91.38 (9) | O7x—Na3—Cu2 | 138.39 (7) |
O2i—Cu1—O12ii | 103.53 (9) | O14—Na3—Cu2 | 73.68 (6) |
O4—Cu1—O12ii | 80.84 (9) | O8—Na3—Cu2 | 78.84 (5) |
O15—Cu1—O11 | 98.76 (10) | S1x—Na3—Cu2 | 112.62 (4) |
O10—Cu1—O11 | 77.83 (9) | S4ix—Na3—Cu2 | 160.56 (6) |
O2i—Cu1—O11 | 120.50 (8) | O8ix—Na3—Cu2 | 147.50 (8) |
O4—Cu1—O11 | 54.92 (8) | S4—Na3—Cu2 | 54.12 (3) |
O12ii—Cu1—O11 | 134.88 (8) | O9—Na3—S3 | 69.72 (7) |
O15—Cu1—O3i | 85.21 (10) | O13ix—Na3—S3 | 132.57 (10) |
O10—Cu1—O3i | 91.65 (8) | O11x—Na3—S3 | 83.01 (7) |
O2i—Cu1—O3i | 54.39 (8) | O6—Na3—S3 | 23.84 (5) |
O4—Cu1—O3i | 121.29 (8) | O16x—Na3—S3 | 152.80 (8) |
O12ii—Cu1—O3i | 157.84 (8) | O7x—Na3—S3 | 125.29 (7) |
O11—Cu1—O3i | 67.12 (7) | O14—Na3—S3 | 24.21 (5) |
O15—Cu1—S1 | 94.27 (8) | O8—Na3—S3 | 103.92 (6) |
O10—Cu1—S1 | 83.64 (7) | S1x—Na3—S3 | 105.79 (4) |
O2i—Cu1—S1 | 148.85 (7) | S4ix—Na3—S3 | 121.33 (7) |
O4—Cu1—S1 | 26.68 (7) | O8ix—Na3—S3 | 98.76 (7) |
O12ii—Cu1—S1 | 107.49 (6) | S4—Na3—S3 | 87.77 (4) |
O11—Cu1—S1 | 28.55 (5) | Cu2—Na3—S3 | 50.20 (3) |
O3i—Cu1—S1 | 94.66 (5) | O11—S1—O12 | 112.66 (15) |
O15—Cu1—S2i | 82.91 (8) | O11—S1—O7 | 107.88 (15) |
O10—Cu1—S2i | 95.45 (7) | O12—S1—O7 | 108.56 (15) |
O2i—Cu1—S2i | 26.14 (6) | O11—S1—O4 | 109.76 (14) |
O4—Cu1—S2i | 149.72 (7) | O12—S1—O4 | 108.76 (13) |
O12ii—Cu1—S2i | 129.31 (6) | O7—S1—O4 | 109.16 (13) |
O11—Cu1—S2i | 95.53 (5) | O11—S1—Cu1 | 73.78 (11) |
O3i—Cu1—S2i | 28.53 (5) | O12—S1—Cu1 | 131.49 (10) |
S1—Cu1—S2i | 123.16 (3) | O7—S1—Cu1 | 114.80 (11) |
O15—Cu1—S2iii | 159.81 (8) | O4—S1—Cu1 | 36.71 (9) |
O10—Cu1—S2iii | 19.72 (7) | O11—S1—Na3xv | 49.91 (10) |
O2i—Cu1—S2iii | 73.22 (6) | O12—S1—Na3xv | 135.58 (11) |
O4—Cu1—S2iii | 104.84 (6) | O7—S1—Na3xv | 58.96 (11) |
O12ii—Cu1—S2iii | 96.66 (6) | O4—S1—Na3xv | 115.60 (10) |
O11—Cu1—S2iii | 87.54 (5) | Cu1—S1—Na3xv | 86.93 (4) |
O3i—Cu1—S2iii | 79.59 (5) | O11—S1—Cu2 | 118.77 (10) |
S1—Cu1—S2iii | 100.10 (2) | O12—S1—Cu2 | 115.88 (10) |
S2i—Cu1—S2iii | 77.38 (2) | O7—S1—Cu2 | 21.65 (10) |
O15—Cu1—S3 | 14.88 (8) | O4—S1—Cu2 | 87.58 (9) |
O10—Cu1—S3 | 163.91 (7) | Cu1—S1—Cu2 | 98.56 (2) |
O2i—Cu1—S3 | 101.80 (6) | Na3xv—S1—Cu2 | 69.36 (3) |
O4—Cu1—S3 | 79.56 (6) | O11—S1—Cu1xvi | 144.77 (11) |
O12ii—Cu1—S3 | 91.44 (6) | O12—S1—Cu1xvi | 34.94 (10) |
O11—Cu1—S3 | 89.01 (5) | O7—S1—Cu1xvi | 99.12 (11) |
O3i—Cu1—S3 | 91.70 (5) | O4—S1—Cu1xvi | 81.10 (9) |
S1—Cu1—S3 | 80.40 (2) | Cu1—S1—Cu1xvi | 114.89 (2) |
S2i—Cu1—S3 | 95.00 (2) | Na3xv—S1—Cu1xvi | 155.12 (4) |
S2iii—Cu1—S3 | 171.29 (2) | Cu2—S1—Cu1xvi | 94.46 (2) |
O15—Cu1—S1ii | 99.33 (9) | O11—S1—K1xvii | 112.74 (11) |
O10—Cu1—S1ii | 84.57 (8) | O12—S1—K1xvii | 57.75 (10) |
O2i—Cu1—S1ii | 84.12 (6) | O7—S1—K1xvii | 53.07 (10) |
O4—Cu1—S1ii | 99.96 (7) | O4—S1—K1xvii | 137.28 (9) |
O12ii—Cu1—S1ii | 20.93 (6) | Cu1—S1—K1xvii | 167.03 (3) |
O11—Cu1—S1ii | 150.03 (5) | Na3xv—S1—K1xvii | 89.24 (4) |
O3i—Cu1—S1ii | 138.15 (5) | Cu2—S1—K1xvii | 68.515 (19) |
S1—Cu1—S1ii | 126.060 (19) | Cu1xvi—S1—K1xvii | 66.80 (2) |
S2i—Cu1—S1ii | 110.26 (2) | O11—S1—Na2xv | 135.17 (12) |
S2iii—Cu1—S1ii | 83.62 (2) | O12—S1—Na2xv | 103.92 (11) |
S3—Cu1—S1ii | 103.19 (2) | O7—S1—Na2xv | 82.87 (10) |
O9—Cu2—O1iv | 93.25 (9) | O4—S1—Na2xv | 30.69 (9) |
O9—Cu2—O6 | 85.57 (10) | Cu1—S1—Na2xv | 62.58 (3) |
O1iv—Cu2—O6 | 173.47 (9) | Na3xv—S1—Na2xv | 115.08 (5) |
O9—Cu2—O7 | 172.86 (11) | Cu2—S1—Na2xv | 61.69 (3) |
O1iv—Cu2—O7 | 85.12 (9) | Cu1xvi—S1—Na2xv | 69.30 (3) |
O6—Cu2—O7 | 95.26 (10) | K1xvii—S1—Na2xv | 108.28 (3) |
O9—Cu2—O3v | 94.93 (10) | O11—S1—Na2iii | 18.73 (10) |
O1iv—Cu2—O3v | 105.41 (9) | O12—S1—Na2iii | 103.73 (11) |
O6—Cu2—O3v | 81.10 (9) | O7—S1—Na2iii | 126.56 (11) |
O7—Cu2—O3v | 92.21 (10) | O4—S1—Na2iii | 98.91 (9) |
O9—Cu2—O13iv | 94.24 (9) | Cu1—S1—Na2iii | 66.52 (3) |
O1iv—Cu2—O13iv | 57.20 (8) | Na3xv—S1—Na2iii | 68.07 (4) |
O6—Cu2—O13iv | 116.44 (9) | Cu2—S1—Na2iii | 135.35 (3) |
O7—Cu2—O13iv | 79.02 (9) | Cu1xvi—S1—Na2iii | 130.18 (3) |
O3v—Cu2—O13iv | 160.80 (8) | K1xvii—S1—Na2iii | 123.16 (3) |
O9—Cu2—O16 | 88.46 (10) | Na2xv—S1—Na2iii | 128.55 (3) |
O1iv—Cu2—O16 | 118.50 (8) | O11—S1—Na2xiii | 91.28 (11) |
O6—Cu2—O16 | 55.09 (8) | O12—S1—Na2xiii | 21.51 (10) |
O7—Cu2—O16 | 86.23 (10) | O7—S1—Na2xiii | 115.43 (11) |
O3v—Cu2—O16 | 135.70 (8) | O4—S1—Na2xiii | 121.11 (9) |
O13iv—Cu2—O16 | 61.36 (7) | Cu1—S1—Na2xiii | 129.77 (3) |
O9—Cu2—S4iv | 97.40 (7) | Na3xv—S1—Na2xiii | 119.59 (5) |
O1iv—Cu2—S4iv | 28.29 (7) | Cu2—S1—Na2xiii | 129.62 (3) |
O6—Cu2—S4iv | 145.52 (7) | Cu1xvi—S1—Na2xiii | 56.16 (2) |
O7—Cu2—S4iv | 77.91 (7) | K1xvii—S1—Na2xiii | 62.54 (3) |
O3v—Cu2—S4iv | 132.38 (7) | Na2xv—S1—Na2xiii | 124.00 (3) |
O13iv—Cu2—S4iv | 29.23 (5) | Na2iii—S1—Na2xiii | 84.02 (4) |
O16—Cu2—S4iv | 90.55 (5) | O5—S2—O3 | 113.40 (14) |
O9—Cu2—S3 | 87.79 (8) | O5—S2—O10xii | 108.13 (14) |
O1iv—Cu2—S3 | 146.93 (7) | O3—S2—O10xii | 110.94 (15) |
O6—Cu2—S3 | 26.70 (7) | O5—S2—O2 | 109.52 (14) |
O7—Cu2—S3 | 89.80 (8) | O3—S2—O2 | 108.13 (13) |
O3v—Cu2—S3 | 107.43 (6) | O10xii—S2—O2 | 106.48 (13) |
O13iv—Cu2—S3 | 89.74 (6) | O5—S2—Cu1i | 118.93 (11) |
O16—Cu2—S3 | 28.43 (5) | O3—S2—Cu1i | 73.68 (10) |
S4iv—Cu2—S3 | 118.83 (3) | O10xii—S2—Cu1i | 126.13 (9) |
O9—Cu2—S4 | 20.66 (7) | O2—S2—Cu1i | 35.07 (8) |
O1iv—Cu2—S4 | 72.89 (6) | O5—S2—Cu1xii | 134.38 (11) |
O6—Cu2—S4 | 105.41 (7) | O3—S2—Cu1xii | 94.81 (10) |
O7—Cu2—S4 | 155.66 (7) | O10xii—S2—Cu1xii | 26.25 (9) |
O3v—Cu2—S4 | 103.41 (6) | O2—S2—Cu1xii | 93.33 (8) |
O13iv—Cu2—S4 | 80.32 (6) | Cu1i—S2—Cu1xii | 102.62 (2) |
O16—Cu2—S4 | 95.06 (6) | O5—S2—Cu2xviii | 86.99 (10) |
S4iv—Cu2—S4 | 77.78 (3) | O3—S2—Cu2xviii | 35.56 (9) |
S3—Cu2—S4 | 102.85 (2) | O10xii—S2—Cu2xviii | 99.53 (10) |
O9—Cu2—S1 | 166.37 (7) | O2—S2—Cu2xviii | 142.32 (9) |
O1iv—Cu2—S1 | 100.25 (7) | Cu1i—S2—Cu2xviii | 107.26 (2) |
O6—Cu2—S1 | 80.80 (7) | Cu1xii—S2—Cu2xviii | 98.56 (2) |
O7—Cu2—S1 | 15.97 (7) | O5—S2—Na2 | 101.92 (11) |
O3v—Cu2—S1 | 83.33 (6) | O3—S2—Na2 | 141.94 (10) |
O13iv—Cu2—S1 | 91.54 (6) | O10xii—S2—Na2 | 68.48 (10) |
O16—Cu2—S1 | 83.50 (6) | O2—S2—Na2 | 43.51 (9) |
S4iv—Cu2—S1 | 93.68 (2) | Cu1i—S2—Na2 | 77.22 (3) |
S3—Cu2—S1 | 79.90 (2) | Cu1xii—S2—Na2 | 68.17 (3) |
S4—Cu2—S1 | 171.34 (2) | Cu2xviii—S2—Na2 | 166.72 (3) |
O9—Cu2—S2v | 100.19 (8) | O5—S2—K1i | 55.97 (10) |
O1iv—Cu2—S2v | 83.74 (7) | O3—S2—K1i | 121.38 (11) |
O6—Cu2—S2v | 102.79 (7) | O10xii—S2—K1i | 127.44 (10) |
O7—Cu2—S2v | 86.56 (8) | O2—S2—K1i | 54.06 (8) |
O3v—Cu2—S2v | 22.01 (6) | Cu1i—S2—K1i | 68.84 (2) |
O13iv—Cu2—S2v | 139.07 (6) | Cu1xii—S2—K1i | 135.86 (3) |
O16—Cu2—S2v | 155.86 (5) | Cu2xviii—S2—K1i | 125.53 (2) |
S4iv—Cu2—S2v | 110.36 (2) | Na2—S2—K1i | 67.72 (3) |
S3—Cu2—S2v | 128.62 (2) | O5—S2—Na1xix | 19.11 (10) |
S4—Cu2—S2v | 100.92 (2) | O3—S2—Na1xix | 98.16 (9) |
S1—Cu2—S2v | 83.26 (2) | O10xii—S2—Na1xix | 105.29 (9) |
O15—K1—O8vi | 104.57 (8) | O2—S2—Na1xix | 127.27 (9) |
O15—K1—O10ii | 109.88 (9) | Cu1i—S2—Na1xix | 127.73 (3) |
O8vi—K1—O10ii | 136.61 (7) | Cu1xii—S2—Na1xix | 129.64 (3) |
O15—K1—O1vi | 123.70 (7) | Cu2xviii—S2—Na1xix | 68.53 (3) |
O8vi—K1—O1vi | 50.47 (7) | Na2—S2—Na1xix | 119.11 (4) |
O10ii—K1—O1vi | 87.97 (7) | K1i—S2—Na1xix | 73.22 (3) |
O15—K1—O7vii | 175.39 (9) | O5—S2—K1v | 74.48 (10) |
O8vi—K1—O7vii | 71.40 (7) | O3—S2—K1v | 96.72 (11) |
O10ii—K1—O7vii | 74.73 (7) | O10xii—S2—K1v | 46.64 (9) |
O1vi—K1—O7vii | 55.67 (6) | O2—S2—K1v | 149.67 (9) |
O15—K1—O2i | 57.52 (7) | Cu1i—S2—K1v | 165.61 (3) |
O8vi—K1—O2i | 110.01 (7) | Cu1xii—S2—K1v | 66.93 (2) |
O10ii—K1—O2i | 110.44 (6) | Cu2xviii—S2—K1v | 66.34 (2) |
O1vi—K1—O2i | 160.39 (7) | Na2—S2—K1v | 106.26 (3) |
O7vii—K1—O2i | 121.25 (7) | K1i—S2—K1v | 125.51 (2) |
O15—K1—O5i | 77.61 (8) | Na1xix—S2—K1v | 63.34 (3) |
O8vi—K1—O5i | 62.05 (6) | O5—S2—Na2xiv | 143.97 (11) |
O10ii—K1—O5i | 150.63 (7) | O3—S2—Na2xiv | 30.62 (9) |
O1vi—K1—O5i | 111.99 (7) | O10xii—S2—Na2xiv | 92.12 (10) |
O7vii—K1—O5i | 98.29 (7) | O2—S2—Na2xiv | 91.94 (9) |
O2i—K1—O5i | 48.42 (6) | Cu1i—S2—Na2xiv | 64.73 (3) |
O15—K1—O14 | 49.22 (7) | Cu1xii—S2—Na2xiv | 69.60 (3) |
O8vi—K1—O14 | 85.94 (8) | Cu2xviii—S2—Na2xiv | 59.87 (2) |
O10ii—K1—O14 | 96.99 (8) | Na2—S2—Na2xiv | 113.31 (3) |
O1vi—K1—O14 | 76.60 (7) | K1i—S2—Na2xiv | 131.48 (3) |
O7vii—K1—O14 | 131.43 (7) | Na1xix—S2—Na2xiv | 127.57 (4) |
O2i—K1—O14 | 106.64 (7) | K1v—S2—Na2xiv | 101.53 (3) |
O5i—K1—O14 | 108.20 (8) | O14—S3—O16 | 114.02 (16) |
O15—K1—O12vii | 133.23 (7) | O14—S3—O15 | 108.10 (16) |
O8vi—K1—O12vii | 108.89 (7) | O16—S3—O15 | 109.68 (17) |
O10ii—K1—O12vii | 63.69 (7) | O14—S3—O6 | 109.18 (15) |
O1vi—K1—O12vii | 102.84 (6) | O16—S3—O6 | 108.25 (14) |
O7vii—K1—O12vii | 48.19 (6) | O15—S3—O6 | 107.41 (13) |
O2i—K1—O12vii | 80.53 (6) | O14—S3—Cu2 | 128.11 (12) |
O5i—K1—O12vii | 90.12 (7) | O16—S3—Cu2 | 72.37 (11) |
O14—K1—O12vii | 160.61 (8) | O15—S3—Cu2 | 117.90 (10) |
O15—K1—O4ii | 84.90 (7) | O6—S3—Cu2 | 35.99 (9) |
O8vi—K1—O4ii | 159.03 (7) | O14—S3—Cu1 | 123.75 (11) |
O10ii—K1—O4ii | 51.51 (6) | O16—S3—Cu1 | 108.35 (12) |
O1vi—K1—O4ii | 138.19 (6) | O15—S3—Cu1 | 19.60 (10) |
O7vii—K1—O4ii | 98.19 (6) | O6—S3—Cu1 | 89.94 (9) |
O2i—K1—O4ii | 59.06 (6) | Cu2—S3—Cu1 | 98.54 (2) |
O5i—K1—O4ii | 103.02 (6) | O14—S3—K1 | 60.53 (11) |
O14—K1—O4ii | 113.79 (7) | O16—S3—K1 | 118.75 (12) |
O12vii—K1—O4ii | 53.86 (6) | O15—S3—K1 | 48.86 (10) |
O15—K1—S4vi | 117.14 (6) | O6—S3—K1 | 132.02 (9) |
O8vi—K1—S4vi | 24.39 (5) | Cu2—S3—K1 | 163.80 (3) |
O10ii—K1—S4vi | 113.01 (5) | Cu1—S3—K1 | 67.419 (19) |
O1vi—K1—S4vi | 26.12 (5) | O14—S3—Na2xv | 107.42 (12) |
O7vii—K1—S4vi | 60.03 (5) | O16—S3—Na2xv | 133.44 (12) |
O2i—K1—S4vi | 134.29 (5) | O15—S3—Na2xv | 75.05 (11) |
O5i—K1—S4vi | 86.01 (5) | O6—S3—Na2xv | 35.14 (8) |
O14—K1—S4vi | 81.63 (5) | Cu2—S3—Na2xv | 65.66 (3) |
O12vii—K1—S4vi | 106.56 (5) | Cu1—S3—Na2xv | 61.00 (3) |
O4ii—K1—S4vi | 157.72 (5) | K1—S3—Na2xv | 99.39 (3) |
O15—K1—S3 | 24.70 (5) | O14—S3—Na3 | 65.58 (12) |
O8vi—K1—S3 | 92.64 (6) | O16—S3—Na3 | 111.99 (12) |
O10ii—K1—S3 | 108.00 (6) | O15—S3—Na3 | 136.32 (12) |
O1vi—K1—S3 | 99.39 (5) | O6—S3—Na3 | 46.59 (10) |
O7vii—K1—S3 | 155.06 (5) | Cu2—S3—Na3 | 64.89 (4) |
O2i—K1—S3 | 81.76 (5) | Cu1—S3—Na3 | 127.65 (3) |
O5i—K1—S3 | 90.39 (5) | K1—S3—Na3 | 116.48 (4) |
O14—K1—S3 | 24.96 (5) | Na2xv—S3—Na3 | 67.16 (4) |
O12vii—K1—S3 | 155.78 (5) | O14—S3—Na1xv | 95.41 (11) |
O4ii—K1—S3 | 102.58 (5) | O16—S3—Na1xv | 26.22 (12) |
S4vi—K1—S3 | 97.63 (2) | O15—S3—Na1xv | 135.29 (13) |
O15—K1—S1vii | 155.92 (6) | O6—S3—Na1xv | 99.47 (9) |
O8vi—K1—S1vii | 87.47 (6) | Cu2—S3—Na1xv | 68.39 (3) |
O10ii—K1—S1vii | 71.43 (5) | Cu1—S3—Na1xv | 134.07 (3) |
O1vi—K1—S1vii | 80.08 (5) | K1—S3—Na1xv | 127.01 (3) |
O7vii—K1—S1vii | 24.43 (4) | Na2xv—S3—Na1xv | 133.56 (4) |
O2i—K1—S1vii | 98.94 (5) | Na3—S3—Na1xv | 87.84 (3) |
O5i—K1—S1vii | 90.35 (5) | O14—S3—Na3xv | 148.03 (12) |
O14—K1—S1vii | 154.32 (6) | O16—S3—Na3xv | 36.53 (12) |
O12vii—K1—S1vii | 24.48 (4) | O15—S3—Na3xv | 81.66 (12) |
O4ii—K1—S1vii | 77.51 (4) | O6—S3—Na3xv | 95.93 (10) |
S4vi—K1—S1vii | 82.16 (2) | Cu2—S3—Na3xv | 65.21 (3) |
S3—K1—S1vii | 179.21 (3) | Cu1—S3—Na3xv | 74.17 (3) |
O15—K1—S2i | 64.08 (6) | K1—S3—Na3xv | 115.71 (4) |
O8vi—K1—S2i | 85.20 (5) | Na2xv—S3—Na3xv | 104.50 (4) |
O10ii—K1—S2i | 133.52 (5) | Na3—S3—Na3xv | 127.82 (3) |
O1vi—K1—S2i | 135.55 (5) | Na1xv—S3—Na3xv | 60.25 (3) |
O7vii—K1—S2i | 112.81 (6) | O8—S4—O13 | 112.86 (16) |
O2i—K1—S2i | 24.85 (4) | O8—S4—O9 | 108.19 (15) |
O5i—K1—S2i | 23.73 (4) | O13—S4—O9 | 111.45 (15) |
O14—K1—S2i | 107.14 (6) | O8—S4—O1 | 109.11 (14) |
O12vii—K1—S2i | 87.01 (5) | O13—S4—O1 | 108.40 (15) |
O4ii—K1—S2i | 82.23 (4) | O9—S4—O1 | 106.61 (14) |
S4vi—K1—S2i | 109.45 (3) | O8—S4—Cu2iv | 118.33 (10) |
S3—K1—S2i | 83.80 (3) | O13—S4—Cu2iv | 71.06 (11) |
S1vii—K1—S2i | 96.98 (3) | O9—S4—Cu2iv | 128.07 (11) |
O8—Na1—O5viii | 78.17 (9) | O1—S4—Cu2iv | 38.05 (9) |
O8—Na1—O13ix | 85.73 (10) | O8—S4—Cu2 | 135.73 (10) |
O5viii—Na1—O13ix | 98.73 (10) | O13—S4—Cu2 | 95.78 (11) |
O8—Na1—O16x | 84.02 (9) | O9—S4—Cu2 | 27.61 (10) |
O5viii—Na1—O16x | 161.45 (11) | O1—S4—Cu2 | 91.52 (9) |
O13ix—Na1—O16x | 74.57 (10) | Cu2iv—S4—Cu2 | 102.22 (3) |
O8—Na1—O14xi | 111.20 (11) | O8—S4—Na3xi | 77.83 (12) |
O5viii—Na1—O14xi | 92.11 (10) | O13—S4—Na3xi | 39.13 (11) |
O13ix—Na1—O14xi | 161.57 (11) | O9—S4—Na3xi | 142.53 (12) |
O16x—Na1—O14xi | 99.20 (10) | O1—S4—Na3xi | 105.86 (9) |
O8—Na1—O1x | 148.92 (10) | Cu2iv—S4—Na3xi | 72.50 (4) |
O5viii—Na1—O1x | 80.89 (9) | Cu2—S4—Na3xi | 134.62 (4) |
O13ix—Na1—O1x | 75.01 (9) | O8—S4—Na3 | 71.71 (10) |
O16x—Na1—O1x | 113.07 (9) | O13—S4—Na3 | 119.17 (11) |
O14xi—Na1—O1x | 92.19 (10) | O9—S4—Na3 | 37.57 (10) |
O8—Na1—O9x | 149.41 (8) | O1—S4—Na3 | 127.87 (10) |
O5viii—Na1—O9x | 125.38 (9) | Cu2iv—S4—Na3 | 163.18 (4) |
O13ix—Na1—O9x | 72.51 (8) | Cu2—S4—Na3 | 64.86 (3) |
O16x—Na1—O9x | 69.82 (8) | Na3xi—S4—Na3 | 124.11 (3) |
O14xi—Na1—O9x | 89.06 (9) | O8—S4—K1vi | 52.80 (10) |
O1x—Na1—O9x | 44.52 (6) | O13—S4—K1vi | 124.14 (10) |
O8—Na1—S4x | 163.26 (9) | O9—S4—K1vi | 124.39 (11) |
O5viii—Na1—S4x | 101.28 (7) | O1—S4—K1vi | 56.45 (9) |
O13ix—Na1—S4x | 77.79 (8) | Cu2iv—S4—K1vi | 73.88 (2) |
O16x—Na1—S4x | 94.26 (8) | Cu2—S4—K1vi | 133.60 (3) |
O14xi—Na1—S4x | 85.52 (8) | Na3xi—S4—K1vi | 89.36 (3) |
O1x—Na1—S4x | 21.25 (5) | Na3—S4—K1vi | 106.58 (4) |
O9x—Na1—S4x | 24.45 (4) | O8—S4—Na1xv | 105.80 (12) |
O8—Na1—S4ix | 98.95 (8) | O13—S4—Na1xv | 136.61 (12) |
O5viii—Na1—S4ix | 93.26 (7) | O9—S4—Na1xv | 72.48 (11) |
O13ix—Na1—S4ix | 15.63 (7) | O1—S4—Na1xv | 37.54 (9) |
O16x—Na1—S4ix | 84.33 (8) | Cu2iv—S4—Na1xv | 73.80 (3) |
O14xi—Na1—S4ix | 149.84 (9) | Cu2—S4—Na1xv | 67.68 (3) |
O1x—Na1—S4ix | 59.53 (6) | Na3xi—S4—Na1xv | 143.05 (4) |
O9x—Na1—S4ix | 63.88 (5) | Na3—S4—Na1xv | 90.74 (5) |
S4x—Na1—S4ix | 64.33 (3) | K1vi—S4—Na1xv | 66.94 (3) |
O8—Na1—S4 | 14.03 (6) | O8—S4—Na1xi | 137.90 (12) |
O5viii—Na1—S4 | 91.48 (7) | O13—S4—Na1xi | 26.30 (11) |
O13ix—Na1—S4 | 88.00 (8) | O9—S4—Na1xi | 91.41 (11) |
O16x—Na1—S4 | 71.26 (7) | O1—S4—Na1xi | 99.78 (10) |
O14xi—Na1—S4 | 106.68 (8) | Cu2iv—S4—Na1xi | 69.47 (3) |
O1x—Na1—S4 | 159.95 (8) | Cu2—S4—Na1xi | 70.97 (3) |
O9x—Na1—S4 | 139.82 (5) | Na3xi—S4—Na1xi | 64.99 (4) |
S4x—Na1—S4 | 162.12 (4) | Na3—S4—Na1xi | 113.16 (4) |
S4ix—Na1—S4 | 102.82 (4) | K1vi—S4—Na1xi | 140.01 (3) |
O8—Na1—S3x | 97.49 (7) | Na1xv—S4—Na1xi | 115.67 (3) |
O5viii—Na1—S3x | 175.22 (8) | S4—O1—Cu2iv | 113.67 (13) |
O13ix—Na1—S3x | 82.83 (7) | S4—O1—Na1xv | 121.20 (12) |
O16x—Na1—S3x | 15.30 (7) | Cu2iv—O1—Na1xv | 120.84 (11) |
O14xi—Na1—S3x | 87.58 (7) | S4—O1—K1vi | 97.43 (11) |
O1x—Na1—S3x | 103.89 (6) | Cu2iv—O1—K1vi | 103.09 (8) |
O9x—Na1—S3x | 59.39 (5) | Na1xv—O1—K1vi | 90.61 (8) |
S4x—Na1—S3x | 83.46 (3) | S4—O1—Na3xi | 53.09 (8) |
S4ix—Na1—S3x | 89.38 (3) | Cu2iv—O1—Na3xi | 66.66 (7) |
S4—Na1—S3x | 84.04 (3) | Na1xv—O1—Na3xi | 172.21 (9) |
O8—Na1—S2viii | 88.42 (7) | K1vi—O1—Na3xi | 85.25 (6) |
O5viii—Na1—S2viii | 11.56 (6) | S4—O1—Na1xi | 59.08 (8) |
O13ix—Na1—S2viii | 94.34 (7) | Cu2iv—O1—Na1xi | 65.13 (6) |
O16x—Na1—S2viii | 166.98 (9) | Na1xv—O1—Na1xi | 129.13 (7) |
O14xi—Na1—S2viii | 93.41 (7) | K1vi—O1—Na1xi | 139.70 (8) |
O1x—Na1—S2viii | 69.38 (6) | Na3xi—O1—Na1xi | 54.48 (4) |
O9x—Na1—S2viii | 113.89 (5) | S2—O2—Cu1i | 118.79 (13) |
S4x—Na1—S2viii | 89.92 (3) | S2—O2—Na2 | 111.33 (12) |
S4ix—Na1—S2viii | 86.39 (3) | Cu1i—O2—Na2 | 126.40 (10) |
S4—Na1—S2viii | 102.06 (4) | S2—O2—K1i | 101.10 (10) |
S3x—Na1—S2viii | 173.21 (5) | Cu1i—O2—K1i | 97.37 (8) |
O8—Na1—Na3 | 59.21 (7) | Na2—O2—K1i | 90.37 (8) |
O5viii—Na1—Na3 | 116.15 (8) | S2—O2—Na2xiv | 66.13 (8) |
O13ix—Na1—Na3 | 39.16 (7) | Cu1i—O2—Na2xiv | 63.93 (6) |
O16x—Na1—Na3 | 48.33 (8) | Na2—O2—Na2xiv | 127.35 (8) |
O14xi—Na1—Na3 | 144.60 (8) | K1i—O2—Na2xiv | 142.22 (7) |
O1x—Na1—Na3 | 112.05 (7) | S2—O3—Cu2xviii | 122.43 (14) |
O9x—Na1—Na3 | 90.89 (5) | S2—O3—Na2xiv | 132.31 (13) |
S4x—Na1—Na3 | 107.61 (4) | Cu2xviii—O3—Na2xiv | 93.25 (9) |
S4ix—Na1—Na3 | 54.55 (4) | S2—O3—Cu1i | 77.79 (10) |
S4—Na1—Na3 | 54.99 (3) | Cu2xviii—O3—Cu1i | 152.86 (11) |
S3x—Na1—Na3 | 62.44 (4) | Na2xiv—O3—Cu1i | 82.46 (7) |
S2viii—Na1—Na3 | 118.64 (5) | S2—O3—Na3xviii | 141.25 (14) |
O11xii—Na2—O6x | 83.29 (9) | Cu2xviii—O3—Na3xviii | 70.48 (6) |
O11xii—Na2—O4x | 161.19 (10) | Na2xiv—O3—Na3xviii | 76.43 (7) |
O6x—Na2—O4x | 78.64 (9) | Cu1i—O3—Na3xviii | 82.49 (7) |
O11xii—Na2—O2 | 119.34 (10) | S2—O3—K1v | 62.52 (9) |
O6x—Na2—O2 | 135.66 (10) | Cu2xviii—O3—K1v | 66.65 (6) |
O4x—Na2—O2 | 78.00 (8) | Na2xiv—O3—K1v | 116.05 (8) |
O11xii—Na2—O12xiii | 110.37 (10) | Cu1i—O3—K1v | 138.91 (7) |
O6x—Na2—O12xiii | 106.30 (9) | Na3xviii—O3—K1v | 135.71 (7) |
O4x—Na2—O12xiii | 70.41 (9) | S2—O3—Na1xix | 61.31 (9) |
O2—Na2—O12xiii | 100.52 (8) | Cu2xviii—O3—Na1xix | 68.78 (6) |
O11xii—Na2—O3xiv | 84.69 (10) | Na2xiv—O3—Na1xix | 161.88 (9) |
O6x—Na2—O3xiv | 68.50 (8) | Cu1i—O3—Na1xix | 114.51 (7) |
O4x—Na2—O3xiv | 93.41 (9) | Na3xviii—O3—Na1xix | 98.65 (6) |
O2—Na2—O3xiv | 75.89 (8) | K1v—O3—Na1xix | 55.70 (4) |
O12xiii—Na2—O3xiv | 163.80 (10) | S1—O4—Cu1 | 116.60 (13) |
O11xii—Na2—O10xii | 70.26 (8) | S1—O4—Na2xv | 130.66 (13) |
O6x—Na2—O10xii | 139.16 (9) | Cu1—O4—Na2xv | 102.54 (10) |
O4x—Na2—O10xii | 127.74 (8) | S1—O4—K1xvi | 122.28 (11) |
O2—Na2—O10xii | 49.82 (7) | Cu1—O4—K1xvi | 90.28 (7) |
O12xiii—Na2—O10xii | 111.77 (8) | Na2xv—O4—K1xvi | 84.14 (7) |
O3xiv—Na2—O10xii | 78.31 (8) | S1—O4—Na2iii | 59.98 (8) |
O11xii—Na2—S2 | 96.77 (8) | Cu1—O4—Na2iii | 62.55 (6) |
O6x—Na2—S2 | 151.47 (8) | Na2xv—O4—Na2iii | 164.66 (8) |
O4x—Na2—S2 | 101.58 (7) | K1xvi—O4—Na2iii | 98.83 (6) |
O2—Na2—S2 | 25.16 (5) | S1—O4—Na3xv | 45.50 (7) |
O12xiii—Na2—S2 | 100.42 (7) | Cu1—O4—Na3xv | 80.83 (7) |
O3xiv—Na2—S2 | 83.07 (6) | Na2xv—O4—Na3xv | 121.21 (8) |
O10xii—Na2—S2 | 26.66 (4) | K1xvi—O4—Na3xv | 154.34 (7) |
O11xii—Na2—O15x | 106.17 (9) | Na2iii—O4—Na3xv | 55.73 (4) |
O6x—Na2—O15x | 45.57 (7) | S2—O5—Na1xix | 149.33 (16) |
O4x—Na2—O15x | 56.84 (7) | S2—O5—K1i | 100.29 (12) |
O2—Na2—O15x | 134.49 (8) | Na1xix—O5—K1i | 106.87 (9) |
O12xiii—Na2—O15x | 61.59 (7) | S2—O5—K1v | 82.61 (11) |
O3xiv—Na2—O15x | 109.45 (8) | Na1xix—O5—K1v | 78.26 (7) |
O10xii—Na2—O15x | 171.42 (8) | K1i—O5—K1v | 156.30 (9) |
S2—Na2—O15x | 154.57 (6) | S2—O5—Na2 | 56.71 (9) |
O11xii—Na2—Cu1x | 134.16 (8) | Na1xix—O5—Na2 | 149.30 (10) |
O6x—Na2—Cu1x | 74.64 (7) | K1i—O5—Na2 | 66.19 (5) |
O4x—Na2—Cu1x | 34.58 (6) | K1v—O5—Na2 | 97.30 (6) |
O2—Na2—Cu1x | 104.18 (7) | S3—O6—Cu2 | 117.30 (13) |
O12xiii—Na2—Cu1x | 43.43 (6) | S3—O6—Na2xv | 123.39 (12) |
O3xiv—Na2—Cu1x | 121.48 (7) | Cu2—O6—Na2xv | 107.13 (10) |
O10xii—Na2—Cu1x | 145.50 (6) | S3—O6—Na3 | 109.56 (12) |
S2—Na2—Cu1x | 121.39 (4) | Cu2—O6—Na3 | 96.00 (9) |
O15x—Na2—Cu1x | 33.19 (4) | Na2xv—O6—Na3 | 98.20 (9) |
O11xii—Na2—S3x | 89.80 (7) | S3—O6—Na1xv | 59.55 (8) |
O6x—Na2—S3x | 21.47 (6) | Cu2—O6—Na1xv | 64.52 (6) |
O4x—Na2—S3x | 71.45 (6) | Na2xv—O6—Na1xv | 169.08 (10) |
O2—Na2—S3x | 145.15 (7) | Na3—O6—Na1xv | 89.93 (6) |
O12xiii—Na2—S3x | 84.85 (7) | S1—O7—Cu2 | 142.39 (16) |
O3xiv—Na2—S3x | 89.41 (6) | S1—O7—Na3xv | 94.27 (13) |
O10xii—Na2—S3x | 157.28 (6) | Cu2—O7—Na3xv | 100.67 (10) |
S2—Na2—S3x | 169.49 (5) | S1—O7—K1xvii | 102.50 (12) |
O15x—Na2—S3x | 25.12 (4) | Cu2—O7—K1xvii | 102.54 (10) |
Cu1x—Na2—S3x | 57.06 (3) | Na3xv—O7—K1xvii | 113.93 (10) |
O11xii—Na2—Cu2x | 95.86 (7) | S1—O7—Na2xv | 73.43 (10) |
O6x—Na2—Cu2x | 32.55 (6) | Cu2—O7—Na2xv | 69.66 (7) |
O4x—Na2—Cu2x | 71.40 (6) | Na3xv—O7—Na2xv | 124.73 (10) |
O2—Na2—Cu2x | 103.75 (7) | K1xvii—O7—Na2xv | 121.32 (9) |
O12xiii—Na2—Cu2x | 128.62 (7) | S4—O8—Na1 | 142.69 (16) |
O3xiv—Na2—Cu2x | 40.35 (6) | S4—O8—K1vi | 102.81 (12) |
O10xii—Na2—Cu2x | 118.58 (6) | Na1—O8—K1vi | 112.90 (9) |
S2—Na2—Cu2x | 119.96 (4) | S4—O8—Na3 | 83.34 (10) |
O15x—Na2—Cu2x | 69.10 (5) | Na1—O8—Na3 | 82.32 (8) |
Cu1x—Na2—Cu2x | 86.64 (3) | K1vi—O8—Na3 | 129.36 (10) |
S3x—Na2—Cu2x | 50.86 (2) | S4—O8—Na3xi | 77.45 (11) |
O11xii—Na2—S1x | 151.44 (8) | Na1—O8—Na3xi | 85.32 (9) |
O6x—Na2—S1x | 70.90 (7) | K1vi—O8—Na3xi | 100.98 (7) |
O4x—Na2—S1x | 18.65 (5) | Na3—O8—Na3xi | 129.03 (8) |
O2—Na2—S1x | 75.03 (6) | S4—O9—Cu2 | 131.73 (16) |
O12xiii—Na2—S1x | 89.00 (7) | S4—O9—Na3 | 120.19 (14) |
O3xiv—Na2—S1x | 74.80 (7) | Cu2—O9—Na3 | 107.39 (10) |
O10xii—Na2—S1x | 122.93 (6) | S4—O9—Na1xv | 83.07 (11) |
S2—Na2—S1x | 100.18 (4) | Cu2—O9—Na1xv | 83.73 (9) |
O15x—Na2—S1x | 63.95 (5) | Na3—O9—Na1xv | 115.59 (11) |
Cu1x—Na2—S1x | 50.53 (2) | S4—O9—Na1xi | 66.33 (10) |
S3x—Na2—S1x | 70.64 (3) | Cu2—O9—Na1xi | 75.76 (8) |
Cu2x—Na2—S1x | 55.70 (2) | Na3—O9—Na1xi | 133.43 (11) |
O11xii—Na2—S1xii | 11.92 (6) | Na1xv—O9—Na1xi | 110.96 (7) |
O6x—Na2—S1xii | 95.20 (7) | S2iii—O10—Cu1 | 134.03 (15) |
O4x—Na2—S1xii | 172.19 (7) | S2iii—O10—K1xvi | 111.13 (11) |
O2—Na2—S1xii | 109.82 (7) | Cu1—O10—K1xvi | 102.50 (9) |
O12xiii—Na2—S1xii | 107.24 (7) | S2iii—O10—Na2iii | 84.86 (11) |
O3xiv—Na2—S1xii | 88.71 (7) | Cu1—O10—Na2iii | 89.29 (8) |
O10xii—Na2—S1xii | 60.06 (5) | K1xvi—O10—Na2iii | 139.71 (9) |
S2—Na2—S1xii | 86.13 (4) | S2iii—O10—Na2i | 66.23 (9) |
O15x—Na2—S1xii | 115.38 (6) | Cu1—O10—Na2i | 73.24 (7) |
Cu1x—Na2—S1xii | 139.25 (4) | K1xvi—O10—Na2i | 110.50 (8) |
S3x—Na2—S1xii | 101.08 (4) | Na2iii—O10—Na2i | 109.79 (7) |
Cu2x—Na2—S1xii | 105.93 (3) | S1—O11—Na2iii | 149.35 (15) |
S1x—Na2—S1xii | 161.35 (4) | S1—O11—Na3xv | 104.77 (13) |
O9—Na3—O13ix | 114.06 (10) | Na2iii—O11—Na3xv | 104.77 (10) |
O9—Na3—O11x | 119.56 (10) | S1—O11—Cu1 | 77.67 (11) |
O13ix—Na3—O11x | 123.76 (10) | Na2iii—O11—Cu1 | 88.14 (9) |
O9—Na3—O6 | 62.61 (8) | Na3xv—O11—Cu1 | 102.52 (10) |
O13ix—Na3—O6 | 156.04 (12) | S1—O11—Na2xiii | 68.05 (10) |
O11x—Na3—O6 | 70.83 (8) | Na2iii—O11—Na2xiii | 97.88 (9) |
O9—Na3—O16x | 85.46 (10) | Na3xv—O11—Na2xiii | 131.10 (10) |
O13ix—Na3—O16x | 67.32 (10) | Cu1—O11—Na2xiii | 121.20 (7) |
O11x—Na3—O16x | 100.65 (10) | S1—O12—Cu1xvi | 124.12 (14) |
O6—Na3—O16x | 132.62 (11) | S1—O12—Na2xiii | 146.15 (16) |
O9—Na3—O7x | 154.67 (13) | Cu1xvi—O12—Na2xiii | 89.18 (8) |
O13ix—Na3—O7x | 72.55 (8) | S1—O12—K1xvii | 97.77 (11) |
O11x—Na3—O7x | 51.74 (7) | Cu1xvi—O12—K1xvii | 89.87 (8) |
O6—Na3—O7x | 121.48 (8) | Na2xiii—O12—K1xvii | 87.17 (8) |
O16x—Na3—O7x | 74.50 (9) | S1—O12—K1xvi | 87.25 (11) |
O9—Na3—O14 | 87.28 (10) | Cu1xvi—O12—K1xvi | 65.22 (6) |
O13ix—Na3—O14 | 110.78 (11) | Na2xiii—O12—K1xvi | 103.82 (7) |
O11x—Na3—O14 | 87.92 (9) | K1xvii—O12—K1xvi | 152.17 (8) |
O6—Na3—O14 | 47.11 (7) | S1—O12—Na2xv | 56.01 (9) |
O16x—Na3—O14 | 170.75 (9) | Cu1xvi—O12—Na2xv | 68.52 (6) |
O7x—Na3—O14 | 113.99 (9) | Na2xiii—O12—Na2xv | 154.08 (8) |
O9—Na3—O8 | 46.81 (7) | K1xvii—O12—Na2xv | 105.13 (7) |
O13ix—Na3—O8 | 67.46 (8) | K1xvi—O12—Na2xv | 55.58 (4) |
O11x—Na3—O8 | 156.93 (11) | S4—O13—Na1xi | 138.07 (17) |
O6—Na3—O8 | 106.89 (8) | S4—O13—Na3xi | 118.66 (15) |
O16x—Na3—O8 | 63.27 (8) | Na1xi—O13—Na3xi | 102.40 (11) |
O7x—Na3—O8 | 130.01 (9) | S4—O13—Cu2iv | 79.71 (11) |
O14—Na3—O8 | 107.51 (8) | Na1xi—O13—Cu2iv | 92.24 (10) |
O9—Na3—S1x | 138.27 (9) | Na3xi—O13—Cu2iv | 90.86 (9) |
O13ix—Na3—S1x | 99.32 (8) | S4—O13—Na1 | 62.87 (11) |
O11x—Na3—S1x | 25.32 (6) | Na1xi—O13—Na1 | 147.41 (10) |
O6—Na3—S1x | 96.07 (6) | Na3xi—O13—Na1 | 70.57 (9) |
O16x—Na3—S1x | 85.09 (7) | Cu2iv—O13—Na1 | 119.07 (8) |
O7x—Na3—S1x | 26.77 (5) | S3—O14—Na1ix | 176.16 (18) |
O14—Na3—S1x | 104.15 (7) | S3—O14—K1 | 94.51 (12) |
O8—Na3—S1x | 148.27 (8) | Na1ix—O14—K1 | 89.25 (9) |
O9—Na3—S4ix | 132.91 (7) | S3—O14—Na3 | 90.21 (13) |
O13ix—Na3—S4ix | 22.21 (6) | Na1ix—O14—Na3 | 87.13 (9) |
O11x—Na3—S4ix | 107.47 (7) | K1—O14—Na3 | 144.70 (10) |
O6—Na3—S4ix | 143.77 (10) | S3—O14—Na1xv | 63.74 (10) |
O16x—Na3—S4ix | 83.61 (7) | Na1ix—O14—Na1xv | 113.26 (8) |
O7x—Na3—S4ix | 60.92 (5) | K1—O14—Na1xv | 127.44 (9) |
O14—Na3—S4ix | 97.22 (7) | Na3—O14—Na1xv | 85.74 (7) |
O8—Na3—S4ix | 87.94 (5) | S3—O14—Na2xv | 53.02 (10) |
S1x—Na3—S4ix | 86.06 (4) | Na1ix—O14—Na2xv | 127.55 (10) |
O9—Na3—O8ix | 139.25 (10) | K1—O14—Na2xv | 93.58 (6) |
O13ix—Na3—O8ix | 45.61 (8) | Na3—O14—Na2xv | 62.06 (6) |
O11x—Na3—O8ix | 96.37 (8) | Na1xv—O14—Na2xv | 105.95 (7) |
O6—Na3—O8ix | 119.62 (10) | S3—O15—Cu1 | 145.52 (17) |
O16x—Na3—O8ix | 107.50 (8) | S3—O15—K1 | 106.45 (13) |
O7x—Na3—O8ix | 63.58 (7) | Cu1—O15—K1 | 105.87 (10) |
O14—Na3—O8ix | 74.65 (8) | S3—O15—Na2xv | 79.83 (11) |
O8—Na3—O8ix | 104.10 (5) | Cu1—O15—Na2xv | 74.32 (8) |
S1x—Na3—O8ix | 82.16 (5) | K1—O15—Na2xv | 118.80 (10) |
S4ix—Na3—O8ix | 24.72 (4) | S3—O15—Na3xv | 76.21 (11) |
O9—Na3—S4 | 22.24 (6) | Cu1—O15—Na3xv | 88.34 (10) |
O13ix—Na3—S4 | 92.40 (7) | K1—O15—Na3xv | 136.81 (10) |
O11x—Na3—S4 | 137.50 (9) | Na2xv—O15—Na3xv | 104.23 (7) |
O6—Na3—S4 | 84.39 (6) | S3—O16—Na1xv | 138.48 (18) |
O16x—Na3—S4 | 71.23 (7) | S3—O16—Na3xv | 125.57 (15) |
O7x—Na3—S4 | 145.69 (9) | Na1xv—O16—Na3xv | 91.43 (9) |
O14—Na3—S4 | 100.10 (7) | S3—O16—Cu2 | 79.20 (11) |
O8—Na3—S4 | 24.95 (4) | Na1xv—O16—Cu2 | 89.48 (9) |
S1x—Na3—S4 | 147.10 (8) | Na3xv—O16—Cu2 | 82.03 (8) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, y−1/2, −z+3/2; (iii) x, y, z+1; (iv) −x, −y+2, −z+1; (v) −x+1, y+1/2, −z+1/2; (vi) −x, −y+1, −z+1; (vii) x, y−1, z; (viii) x−1, y, z; (ix) −x, y−1/2, −z+1/2; (x) x, −y+3/2, z−1/2; (xi) −x, y+1/2, −z+1/2; (xii) x, y, z−1; (xiii) −x+1, −y+2, −z+1; (xiv) −x+1, −y+1, −z; (xv) x, −y+3/2, z+1/2; (xvi) −x+1, y+1/2, −z+3/2; (xvii) x, y+1, z; (xviii) −x+1, y−1/2, −z+1/2; (xix) x+1, y, z. |