Metal selenates crystallize in many instances in isomorphic structures of the corresponding sulfates. Sodium magnesium selenate decahydrate, Na
2Mg(SeO
4)
2·10H
2O, and sodium magnesium selenate dihydrate, Na
2Mg(SeO
4)
2·2H
2O, were synthesized by preparing solutions of Na
2SeO
4 and MgSeO
4·6H
2O with different molar ratios. The structures contain different Mg octahedra,
i.e. [Mg(H
2O)
6] octahedra in the decahydrate and [MgO
4(H
2O)
2] octahedra in the dihydrate. The sodium polyhedra are also different,
i.e. [NaO
2(H
2O)
4] in the decahydrate and [NaO
6(H
2O)] in the dihydrate. The selenate tetrahedra are connected with the chains of Na polyhedra in the two structures. O—H
O hydrogen bonding is observed in both structures between the coordinating water molecules and selenate O atoms.
Supporting information
CCDC references: 1557477; 1557476
For both compounds, data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA (Stoe & Cie, 2002); data reduction: X-RED (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2012); software used to prepare material for publication: publCIF (Westrip, 2010).
(Na2_Seo4_Mg_Seo4_10H2O) Disodium magnesium bis(selenate) decahydrate
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Crystal data top
Na2Mg(SeO4)2·10H2O | F(000) = 532 |
Mr = 536.37 | Dx = 2.161 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 12.671 (2) Å | Cell parameters from 8438 reflections |
b = 6.610 (1) Å | θ = 3.4–29.2° |
c = 10.2706 (2) Å | µ = 4.66 mm−1 |
β = 106.64 (1)° | T = 150 K |
V = 824.2 (3) Å3 | Plate, colorless |
Z = 2 | 0.5 × 0.3 × 0.1 mm |
Data collection top
Stoe IPDS 2T diffractometer | 2196 independent reflections |
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus | 1923 reflections with I > 2σ(I) |
Plane graphite monochromator | Rint = 0.037 |
Detector resolution: 6.67 pixels mm-1 | θmax = 29.2°, θmin = 3.4° |
rotation method scans | h = −17→13 |
Absorption correction: integration (Coppens & Hamilton, 1970) | k = −9→9 |
Tmin = 0.139, Tmax = 0.298 | l = −14→14 |
8438 measured reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.020 | All H-atom parameters refined |
wR(F2) = 0.046 | w = 1/[σ2(Fo2) + (0.017P)2 + 0.8734P] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max = 0.001 |
2196 reflections | Δρmax = 0.34 e Å−3 |
146 parameters | Δρmin = −0.52 e Å−3 |
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 | |
Mg1 | 1.000000 | 0.500000 | 1.000000 | 0.01252 (16) | |
Na1 | 0.51950 (6) | 0.25556 (11) | 0.59730 (8) | 0.01698 (15) | |
Se1 | 0.72146 (2) | 0.01411 (2) | 0.83122 (2) | 0.01166 (6) | |
O1 | 0.78600 (11) | −0.0030 (2) | 0.99550 (13) | 0.0166 (3) | |
O2 | 0.79807 (11) | −0.0827 (2) | 0.74047 (13) | 0.0165 (3) | |
O3 | 0.69661 (11) | 0.25347 (19) | 0.78934 (13) | 0.0175 (3) | |
O4 | 0.60491 (12) | −0.1082 (2) | 0.79357 (14) | 0.0208 (3) | |
O5 | 0.38548 (12) | −0.0320 (2) | 0.52315 (15) | 0.0197 (3) | |
H5A | 0.333 (3) | 0.020 (5) | 0.470 (3) | 0.041 (9)* | |
H5B | 0.366 (3) | −0.090 (5) | 0.585 (3) | 0.040 (8)* | |
O6 | 0.40053 (13) | 0.4096 (2) | 0.39924 (14) | 0.0176 (3) | |
H6A | 0.394 (3) | 0.327 (5) | 0.338 (3) | 0.043 (9)* | |
H6B | 0.343 (3) | 0.419 (5) | 0.413 (3) | 0.032 (8)* | |
O7 | 0.86250 (12) | 0.5371 (2) | 0.83744 (14) | 0.0188 (3) | |
H7A | 0.838 (2) | 0.649 (5) | 0.794 (3) | 0.033 (7)* | |
H7B | 0.812 (3) | 0.454 (5) | 0.812 (3) | 0.039 (8)* | |
O8 | 1.08770 (12) | 0.6626 (2) | 0.88585 (14) | 0.0163 (3) | |
H8A | 1.120 (2) | 0.758 (5) | 0.918 (3) | 0.031 (8)* | |
H8B | 1.128 (3) | 0.591 (6) | 0.853 (3) | 0.048 (9)* | |
O9 | 1.02763 (12) | 0.2364 (2) | 0.90905 (14) | 0.0175 (3) | |
H9A | 1.083 (2) | 0.174 (5) | 0.936 (3) | 0.030 (7)* | |
H9B | 1.003 (3) | 0.218 (5) | 0.827 (3) | 0.045 (9)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mg1 | 0.0149 (4) | 0.0103 (4) | 0.0122 (4) | 0.0009 (3) | 0.0037 (3) | 0.0006 (3) |
Na1 | 0.0178 (4) | 0.0160 (3) | 0.0169 (3) | 0.0014 (3) | 0.0047 (3) | −0.0006 (3) |
Se1 | 0.01403 (8) | 0.00992 (8) | 0.01125 (8) | 0.00030 (6) | 0.00395 (6) | −0.00004 (6) |
O1 | 0.0191 (6) | 0.0159 (6) | 0.0136 (5) | 0.0013 (5) | 0.0028 (5) | 0.0009 (5) |
O2 | 0.0205 (6) | 0.0135 (6) | 0.0182 (6) | 0.0019 (5) | 0.0098 (5) | 0.0010 (5) |
O3 | 0.0214 (7) | 0.0114 (6) | 0.0186 (6) | 0.0034 (5) | 0.0039 (5) | 0.0014 (5) |
O4 | 0.0206 (7) | 0.0245 (7) | 0.0187 (6) | −0.0069 (6) | 0.0077 (5) | −0.0054 (5) |
O5 | 0.0221 (7) | 0.0197 (7) | 0.0181 (6) | −0.0015 (6) | 0.0072 (6) | 0.0027 (5) |
O6 | 0.0190 (7) | 0.0171 (6) | 0.0161 (6) | −0.0013 (5) | 0.0041 (5) | −0.0020 (5) |
O7 | 0.0183 (6) | 0.0132 (6) | 0.0206 (6) | 0.0005 (5) | −0.0011 (5) | 0.0035 (5) |
O8 | 0.0191 (7) | 0.0130 (6) | 0.0180 (6) | −0.0019 (5) | 0.0073 (5) | −0.0023 (5) |
O9 | 0.0200 (7) | 0.0155 (6) | 0.0154 (6) | 0.0050 (5) | 0.0023 (5) | −0.0029 (5) |
Geometric parameters (Å, º) top
Mg1—O9i | 2.0541 (14) | Na1—O5 | 2.5173 (18) |
Mg1—O9 | 2.0541 (14) | Na1—O3 | 2.5280 (15) |
Mg1—O7 | 2.0535 (14) | Na1—Se1 | 3.3683 (9) |
Mg1—O7i | 2.0535 (14) | Na1—Na1iii | 3.7572 (18) |
Mg1—O8i | 2.1238 (14) | Na1—Na1iv | 3.8844 (18) |
Mg1—O8 | 2.1238 (14) | Se1—O4 | 1.6301 (14) |
Na1—O4ii | 2.3590 (16) | Se1—O3 | 1.6462 (14) |
Na1—O6 | 2.3855 (16) | Se1—O2 | 1.6551 (13) |
Na1—O6iii | 2.4302 (18) | Se1—O1 | 1.6547 (13) |
Na1—O5iv | 2.4529 (17) | | |
| | | |
O9i—Mg1—O9 | 180.0 | O5iv—Na1—Se1 | 72.06 (4) |
O9i—Mg1—O7 | 93.04 (6) | O5—Na1—Se1 | 99.60 (5) |
O9—Mg1—O7 | 86.96 (6) | O3—Na1—Se1 | 28.08 (3) |
O9i—Mg1—O7i | 86.96 (6) | O4ii—Na1—Na1iii | 85.44 (5) |
O9—Mg1—O7i | 93.04 (6) | O6—Na1—Na1iii | 39.15 (4) |
O7—Mg1—O7i | 180.00 (8) | O6iii—Na1—Na1iii | 38.30 (4) |
O9i—Mg1—O8i | 89.65 (6) | O5iv—Na1—Na1iii | 104.99 (5) |
O9—Mg1—O8i | 90.35 (6) | O5—Na1—Na1iii | 120.93 (5) |
O7—Mg1—O8i | 93.04 (6) | O3—Na1—Na1iii | 111.83 (5) |
O7i—Mg1—O8i | 86.96 (6) | Se1—Na1—Na1iii | 138.10 (4) |
O9i—Mg1—O8 | 90.35 (6) | O4ii—Na1—Na1iv | 124.93 (5) |
O9—Mg1—O8 | 89.65 (6) | O6—Na1—Na1iv | 88.65 (5) |
O7—Mg1—O8 | 86.96 (6) | O6iii—Na1—Na1iv | 142.26 (5) |
O7i—Mg1—O8 | 93.04 (6) | O5iv—Na1—Na1iv | 39.19 (4) |
O8i—Mg1—O8 | 180.0 | O5—Na1—Na1iv | 38.01 (4) |
O4ii—Na1—O6 | 84.10 (6) | O3—Na1—Na1iv | 110.51 (5) |
O4ii—Na1—O6iii | 88.74 (6) | Se1—Na1—Na1iv | 85.04 (3) |
O6—Na1—O6iii | 77.45 (6) | Na1iii—Na1—Na1iv | 119.77 (4) |
O4ii—Na1—O5iv | 163.93 (6) | O4—Se1—O3 | 108.81 (7) |
O6—Na1—O5iv | 96.24 (6) | O4—Se1—O2 | 108.19 (7) |
O6iii—Na1—O5iv | 107.05 (6) | O3—Se1—O2 | 108.89 (7) |
O4ii—Na1—O5 | 86.98 (6) | O4—Se1—O1 | 110.95 (7) |
O6—Na1—O5 | 81.82 (6) | O3—Se1—O1 | 109.51 (7) |
O6iii—Na1—O5 | 159.15 (6) | O2—Se1—O1 | 110.45 (7) |
O5iv—Na1—O5 | 77.20 (6) | O4—Se1—Na1 | 67.32 (6) |
O4ii—Na1—O3 | 101.31 (5) | O3—Se1—Na1 | 46.28 (5) |
O6—Na1—O3 | 150.52 (6) | O2—Se1—Na1 | 103.29 (5) |
O6iii—Na1—O3 | 73.76 (5) | O1—Se1—Na1 | 144.33 (5) |
O5iv—Na1—O3 | 86.33 (5) | Se1—O3—Na1 | 105.65 (7) |
O5—Na1—O3 | 127.09 (6) | Se1—O4—Na1v | 139.46 (8) |
O4ii—Na1—Se1 | 108.45 (4) | Na1iv—O5—Na1 | 102.80 (6) |
O6—Na1—Se1 | 167.40 (5) | Na1—O6—Na1iii | 102.55 (6) |
O6iii—Na1—Se1 | 101.11 (4) | | |
Symmetry codes: (i) −x+2, −y+1, −z+2; (ii) −x+1, y+1/2, −z+3/2; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) −x+1, y−1/2, −z+3/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O9—H9B···O8vi | 0.82 (3) | 2.19 (3) | 3.002 (2) | 170 (3) |
O9—H9A···O1vii | 0.79 (3) | 1.97 (3) | 2.755 (2) | 176 (3) |
O9—H9A···Se1vii | 0.79 (3) | 3.17 (3) | 3.8868 (15) | 153 (2) |
O8—H8B···O2viii | 0.83 (4) | 1.91 (4) | 2.736 (2) | 172 (3) |
O8—H8B···Se1viii | 0.83 (4) | 3.09 (3) | 3.8561 (15) | 154 (3) |
O8—H8A···O1i | 0.77 (3) | 2.06 (3) | 2.827 (2) | 176 (3) |
O8—H8A···Se1i | 0.77 (3) | 3.16 (3) | 3.8515 (15) | 151 (3) |
O7—H7B···O3 | 0.83 (3) | 1.93 (3) | 2.754 (2) | 169 (3) |
O7—H7B···Se1 | 0.83 (3) | 3.15 (3) | 3.8837 (18) | 149 (3) |
O7—H7A···O2ix | 0.87 (3) | 1.88 (3) | 2.740 (2) | 167 (3) |
O7—H7A···Se1ix | 0.87 (3) | 2.91 (3) | 3.6162 (17) | 139 (2) |
O6—H6B···O1ii | 0.78 (3) | 2.17 (3) | 2.925 (2) | 162 (3) |
O6—H6B···Se1ii | 0.78 (3) | 3.04 (3) | 3.6030 (16) | 132 (2) |
O6—H6A···O4iv | 0.82 (3) | 1.98 (3) | 2.796 (2) | 172 (3) |
O6—H6A···Se1iv | 0.82 (3) | 2.96 (3) | 3.7070 (16) | 151 (3) |
O5—H5B···O3v | 0.84 (3) | 1.99 (3) | 2.819 (2) | 172 (3) |
O5—H5B···Se1v | 0.84 (3) | 3.06 (3) | 3.7730 (17) | 145 (3) |
O5—H5A···O2iv | 0.80 (3) | 2.36 (3) | 3.116 (2) | 158 (3) |
O5—H5A···Se1iv | 0.80 (3) | 2.98 (3) | 3.5031 (15) | 125 (3) |
Symmetry codes: (i) −x+2, −y+1, −z+2; (ii) −x+1, y+1/2, −z+3/2; (iv) −x+1, −y, −z+1; (v) −x+1, y−1/2, −z+3/2; (vi) −x+2, y−1/2, −z+3/2; (vii) −x+2, −y, −z+2; (viii) −x+2, y+1/2, −z+3/2; (ix) x, y+1, z. |
(Mg_SeO4_Na2_SeO4_2H2O) Disodium magnesium bis(selenate) dihydrate
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Crystal data top
Na2Mg(SeO4)2·2H2O | Z = 1 |
Mr = 392.24 | F(000) = 186 |
Triclinic, P1 | Dx = 3.102 Mg m−3 |
a = 5.556 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 5.923 (4) Å | Cell parameters from 3582 reflections |
c = 7.224 (5) Å | θ = 3.0–29.6° |
α = 108.36 (6)° | µ = 9.12 mm−1 |
β = 99.07 (5)° | T = 200 K |
γ = 106.63 (6)° | Prism, colourless |
V = 208.0 (3) Å3 | 0.20 × 0.10 × 0.05 mm |
Data collection top
Stoe IPDS 2T diffractometer | 864 independent reflections |
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus | 782 reflections with I > 2σ(I) |
Plane graphite monochromator | Rint = 0.062 |
Detector resolution: 6.67 pixels mm-1 | θmax = 26.5°, θmin = 3.9° |
rotation method scans | h = −6→6 |
Absorption correction: integration (Coppens & Hamilton, 1970) | k = −7→7 |
Tmin = 0.398, Tmax = 0.584 | l = −5→9 |
3328 measured reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.032 | All H-atom parameters refined |
wR(F2) = 0.084 | w = 1/[σ2(Fo2) + (0.0149P)2 + 1.464P] where P = (Fo2 + 2Fc2)/3 |
S = 1.27 | (Δ/σ)max < 0.001 |
864 reflections | Δρmax = 0.92 e Å−3 |
79 parameters | Δρmin = −0.74 e Å−3 |
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. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Se1 | 0.33844 (11) | 0.16724 (12) | 0.25986 (9) | 0.0128 (2) | |
Mg1 | 0.0000 | 0.5000 | 0.5000 | 0.0138 (6) | |
O5 | −0.0653 (9) | 0.5420 (10) | 0.2307 (7) | 0.0160 (9) | |
O4 | 0.2829 (8) | −0.1330 (8) | 0.1244 (7) | 0.0176 (9) | |
O2 | 0.1053 (8) | 0.1752 (9) | 0.3768 (7) | 0.0183 (9) | |
O3 | 0.3541 (8) | 0.3371 (9) | 0.1210 (7) | 0.0182 (9) | |
O1 | 0.6138 (8) | 0.2620 (9) | 0.4357 (7) | 0.0189 (9) | |
Na1 | 0.6657 (5) | 0.7902 (5) | 0.2476 (4) | 0.0234 (6) | |
H5A | 0.06 (2) | 0.63 (2) | 0.210 (15) | 0.04 (3)* | |
H5B | −0.125 (16) | 0.412 (18) | 0.133 (14) | 0.03 (2)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Se1 | 0.0094 (3) | 0.0159 (3) | 0.0131 (3) | 0.0045 (2) | 0.0032 (2) | 0.0054 (2) |
Mg1 | 0.0115 (13) | 0.0181 (15) | 0.0120 (14) | 0.0052 (11) | 0.0026 (11) | 0.0063 (12) |
O5 | 0.013 (2) | 0.017 (2) | 0.013 (2) | 0.0016 (18) | 0.0009 (18) | 0.004 (2) |
O4 | 0.018 (2) | 0.017 (2) | 0.016 (2) | 0.0076 (18) | 0.0060 (17) | 0.0026 (19) |
O2 | 0.015 (2) | 0.020 (2) | 0.024 (2) | 0.0087 (18) | 0.0101 (18) | 0.008 (2) |
O3 | 0.017 (2) | 0.025 (2) | 0.019 (2) | 0.0090 (19) | 0.0056 (18) | 0.014 (2) |
O1 | 0.0113 (19) | 0.022 (2) | 0.021 (2) | 0.0026 (17) | 0.0007 (17) | 0.010 (2) |
Na1 | 0.0193 (12) | 0.0256 (14) | 0.0284 (15) | 0.0111 (11) | 0.0055 (11) | 0.0120 (12) |
Geometric parameters (Å, º) top
Se1—O3 | 1.625 (4) | O2—Na1ii | 2.727 (6) |
Se1—O4 | 1.646 (5) | O3—Na1vi | 2.503 (6) |
Se1—O1 | 1.648 (5) | O3—Na1 | 2.516 (6) |
Se1—O2 | 1.658 (4) | O1—Mg1vii | 2.086 (5) |
Mg1—O5 | 2.028 (5) | O1—Na1iv | 2.816 (6) |
Mg1—O5i | 2.028 (5) | O1—Na1ii | 3.006 (6) |
Mg1—O1ii | 2.086 (5) | Na1—O5vii | 2.369 (5) |
Mg1—O1iii | 2.086 (5) | Na1—O4viii | 2.395 (5) |
Mg1—O2i | 2.137 (5) | Na1—O3vi | 2.503 (6) |
Mg1—O2 | 2.137 (5) | Na1—O2ix | 2.605 (6) |
O5—Na1iii | 2.369 (5) | Na1—O2ii | 2.727 (6) |
O4—Na1iv | 2.395 (5) | Na1—O1viii | 2.816 (6) |
O2—Na1v | 2.605 (6) | Na1—O1ii | 3.006 (6) |
| | | |
O3—Se1—O4 | 111.7 (2) | Se1—O1—Na1iv | 89.4 (2) |
O3—Se1—O1 | 112.7 (2) | Mg1vii—O1—Na1iv | 98.82 (18) |
O4—Se1—O1 | 105.0 (2) | Se1—O1—Na1ii | 92.55 (19) |
O3—Se1—O2 | 112.0 (2) | Mg1vii—O1—Na1ii | 124.2 (2) |
O4—Se1—O2 | 107.9 (2) | Na1iv—O1—Na1ii | 106.92 (16) |
O1—Se1—O2 | 107.2 (2) | O5vii—Na1—O4viii | 153.0 (2) |
O3—Se1—Na1iv | 122.77 (17) | O5vii—Na1—O3vi | 81.18 (18) |
O4—Se1—Na1iv | 45.27 (17) | O4viii—Na1—O3vi | 79.65 (17) |
O1—Se1—Na1iv | 60.10 (18) | O5vii—Na1—O3 | 74.98 (18) |
O2—Se1—Na1iv | 124.52 (17) | O4viii—Na1—O3 | 83.35 (18) |
O3—Se1—Na1ii | 141.16 (18) | O3vi—Na1—O3 | 81.05 (19) |
O4—Se1—Na1ii | 106.91 (18) | O5vii—Na1—O2ix | 84.57 (19) |
O1—Se1—Na1ii | 59.32 (17) | O4viii—Na1—O2ix | 116.24 (19) |
O2—Se1—Na1ii | 49.60 (17) | O3vi—Na1—O2ix | 96.15 (19) |
Na1iv—Se1—Na1ii | 87.86 (9) | O3—Na1—O2ix | 159.56 (18) |
O5—Mg1—O5i | 180.0 (3) | O5vii—Na1—O2ii | 68.51 (17) |
O5—Mg1—O1ii | 87.64 (19) | O4viii—Na1—O2ii | 131.32 (18) |
O5i—Mg1—O1ii | 92.36 (19) | O3vi—Na1—O2ii | 148.83 (17) |
O5—Mg1—O1iii | 92.36 (19) | O3—Na1—O2ii | 97.35 (18) |
O5i—Mg1—O1iii | 87.64 (19) | O2ix—Na1—O2ii | 74.55 (18) |
O1ii—Mg1—O1iii | 180.0 | O5vii—Na1—O1viii | 147.3 (2) |
O5—Mg1—O2i | 87.59 (19) | O4viii—Na1—O1viii | 59.56 (16) |
O5i—Mg1—O2i | 92.41 (19) | O3vi—Na1—O1viii | 116.08 (17) |
O1ii—Mg1—O2i | 90.13 (19) | O3—Na1—O1viii | 132.60 (17) |
O1iii—Mg1—O2i | 89.87 (19) | O2ix—Na1—O1viii | 66.79 (16) |
O5—Mg1—O2 | 92.41 (19) | O2ii—Na1—O1viii | 88.01 (17) |
O5i—Mg1—O2 | 87.59 (19) | O5vii—Na1—O1ii | 107.89 (17) |
O1ii—Mg1—O2 | 89.87 (19) | O4viii—Na1—O1ii | 79.80 (16) |
O1iii—Mg1—O2 | 90.13 (19) | O3vi—Na1—O1ii | 147.73 (18) |
O2i—Mg1—O2 | 180.0 | O3—Na1—O1ii | 72.08 (16) |
O5—Mg1—Na1ii | 139.98 (14) | O2ix—Na1—O1ii | 115.23 (18) |
O5i—Mg1—Na1ii | 40.02 (14) | O2ii—Na1—O1ii | 55.05 (14) |
O1ii—Mg1—Na1ii | 79.00 (14) | O1viii—Na1—O1ii | 73.08 (16) |
O1iii—Mg1—Na1ii | 101.00 (14) | O5vii—Na1—Se1viii | 174.58 (16) |
O2i—Mg1—Na1ii | 129.49 (14) | O4viii—Na1—Se1viii | 29.24 (12) |
O2—Mg1—Na1ii | 50.51 (14) | O3vi—Na1—Se1viii | 96.43 (14) |
O5—Mg1—Na1iii | 40.02 (14) | O3—Na1—Se1viii | 109.55 (14) |
O5i—Mg1—Na1iii | 139.98 (14) | O2ix—Na1—Se1viii | 90.87 (14) |
O1ii—Mg1—Na1iii | 101.00 (14) | O2ii—Na1—Se1viii | 113.11 (14) |
O1iii—Mg1—Na1iii | 79.00 (14) | O1viii—Na1—Se1viii | 30.48 (10) |
O2i—Mg1—Na1iii | 50.51 (14) | O1ii—Na1—Se1viii | 76.71 (11) |
O2—Mg1—Na1iii | 129.49 (14) | O5vii—Na1—Se1ii | 90.95 (14) |
Na1ii—Mg1—Na1iii | 180.00 (8) | O4viii—Na1—Se1ii | 104.52 (15) |
O5—Mg1—Na1x | 88.22 (17) | O3vi—Na1—Se1ii | 168.06 (15) |
O5i—Mg1—Na1x | 91.78 (17) | O3—Na1—Se1ii | 88.26 (15) |
O1ii—Mg1—Na1x | 47.87 (15) | O2ix—Na1—Se1ii | 92.01 (15) |
O1iii—Mg1—Na1x | 132.13 (15) | O2ii—Na1—Se1ii | 27.59 (9) |
O2i—Mg1—Na1x | 42.31 (13) | O1viii—Na1—Se1ii | 75.20 (13) |
O2—Mg1—Na1x | 137.69 (13) | O1ii—Na1—Se1ii | 28.13 (9) |
Na1ii—Mg1—Na1x | 108.80 (11) | Se1viii—Na1—Se1ii | 92.14 (9) |
Na1iii—Mg1—Na1x | 71.20 (11) | O5vii—Na1—Mg1vii | 33.40 (12) |
O5—Mg1—Na1v | 91.78 (17) | O4viii—Na1—Mg1vii | 152.72 (15) |
O5i—Mg1—Na1v | 88.22 (17) | O3vi—Na1—Mg1vii | 114.13 (14) |
O1ii—Mg1—Na1v | 132.13 (15) | O3—Na1—Mg1vii | 76.21 (14) |
O1iii—Mg1—Na1v | 47.87 (15) | O2ix—Na1—Mg1vii | 86.70 (14) |
O2i—Mg1—Na1v | 137.69 (13) | O2ii—Na1—Mg1vii | 37.21 (10) |
O2—Mg1—Na1v | 42.31 (13) | O1viii—Na1—Mg1vii | 124.80 (14) |
Na1ii—Mg1—Na1v | 71.20 (11) | O1ii—Na1—Mg1vii | 76.85 (11) |
Na1iii—Mg1—Na1v | 108.80 (11) | Se1viii—Na1—Mg1vii | 149.43 (10) |
Na1x—Mg1—Na1v | 180.0 | Se1ii—Na1—Mg1vii | 57.55 (6) |
Mg1—O5—Na1iii | 106.6 (2) | O5vii—Na1—Mg1ix | 116.97 (16) |
Se1—O4—Na1iv | 105.5 (2) | O4viii—Na1—Mg1ix | 87.17 (15) |
Se1—O2—Mg1 | 125.5 (2) | O3vi—Na1—Mg1ix | 108.15 (15) |
Se1—O2—Na1v | 120.8 (2) | O3—Na1—Mg1ix | 165.42 (14) |
Mg1—O2—Na1v | 104.18 (18) | O2ix—Na1—Mg1ix | 33.51 (11) |
Se1—O2—Na1ii | 102.8 (2) | O2ii—Na1—Mg1ix | 80.66 (14) |
Mg1—O2—Na1ii | 92.28 (18) | O1viii—Na1—Mg1ix | 33.31 (10) |
Na1v—O2—Na1ii | 105.45 (18) | O1ii—Na1—Mg1ix | 95.37 (13) |
Se1—O3—Na1vi | 129.3 (3) | Se1viii—Na1—Mg1ix | 59.05 (8) |
Se1—O3—Na1 | 122.3 (2) | Se1ii—Na1—Mg1ix | 83.40 (10) |
Na1vi—O3—Na1 | 98.95 (19) | Mg1vii—Na1—Mg1ix | 108.80 (11) |
Se1—O1—Mg1vii | 137.0 (3) | | |
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) x−1, y, z; (iv) x, y−1, z; (v) x−1, y−1, z; (vi) −x+1, −y+1, −z; (vii) x+1, y, z; (viii) x, y+1, z; (ix) x+1, y+1, z; (x) −x+1, −y+2, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H5B···O4xi | 0.80 (10) | 1.92 (10) | 2.709 (7) | 171 (8) |
O5—H5A···O4viii | 0.81 (11) | 1.93 (11) | 2.703 (7) | 161 (9) |
Symmetry codes: (viii) x, y+1, z; (xi) −x, −y, −z. |