Crystal structures of the solid solutions Na₃Zn_0.912Cd_0.088B₅O₁₀ and Na₃Zn_0.845Mg_0.155B₅O₁₀

The solid solutions Na₃Zn_0.912Cd_0.088B₅O₁₀ and Na₃Zn_0.845Mg_0.155B₅O₁₀ adopt the ortho­rhom­bic form of the parent compound Na₃ZnB₅O₁₀ where parts of the zinc cations are replaced by cadmium and magnesium cations, respectively.

Key indicators

Structure: I

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](O-B) = 0.004 Å
• Disorder in main residue
• R factor = 0.037
• wR factor = 0.072
• Data-to-parameter ratio = 14.7

Structure: II

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](O-B) = 0.005 Å
• Disorder in main residue
• R factor = 0.044
• wR factor = 0.113
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..     Please Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O8 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        O10 Check
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     11.246 Check
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.029 Check

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.12 Check
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          1 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cd1    --  O9_b    ..       11.1 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cd1    --  O1_d    ..        6.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Zn1    --  O9_b    ..       11.1 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Zn1    --  O1_d    ..        6.2 s.u.
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1)..         1% Note
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......     Please Check

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  12 ALERT level G = General information/check it is not something unexpected

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check




Datablock: II


Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..     Please Check
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.27 Report
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     --  B2      ..        5.5 s.u.
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      9.405 Check

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       0.12 Check
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          1 Report
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K)        293 Check
PLAT200_ALERT_1_G Reported   _diffrn_ambient_temperature ..... (K)        293 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1)..         5% Note
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......     Please Check

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   8 ALERT level G = General information/check it is not something unexpected

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

---

Computing details

For both structures, data collection: Rigaku/AFC Diffractometer Control Software (Rigaku Corporation, 1994); cell refinement: Rigaku/AFC Diffractometer Control Software (Rigaku Corporation, 1994); data reduction: Rigaku/AFC Diffractometer Control Software (Rigaku Corporation, 1994); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: ATOMS (Dowty, 1999); software used to prepare material for publication: publCIF (Westrip, 2010).

Trisodium zinc cadmium pentaborate (I)

Crystal data

Na3Zn0.912Cd0.088B5O10	Dx = 2.655 Mg m^−3
Mr = 352.53	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbca	Cell parameters from 25 reflections
a = 7.9407 (14) Å	θ = 12.1–22.2°
b = 12.293 (2) Å	µ = 2.95 mm^−1
c = 18.0684 (19) Å	T = 293 K
V = 1763.7 (5) Å^3	Prism, colorless
Z = 8	0.30 × 0.10 × 0.10 mm
F(000) = 1356.7

Data collection

Rigaku AFC-7R diffractometer	Rint = 0.061
Radiation source: fine-focus sealed tube	θmax = 30.0°, θmin = 2.3°
2θ – ω scans	h = 0→11
Absorption correction: ψ scan (Kopfmann & Huber, 1968)	k = 0→17
Tmin = 0.703, Tmax = 0.752	l = 0→25
3006 measured reflections	3 standard reflections every 150 reflections
2562 independent reflections	intensity decay: 2.2%
1557 reflections with I > 2σ(I)

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0224P)^2] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.037	(Δ/σ)max = 0.001
wR(F^2) = 0.072	Δρmax = 0.45 e Å^−3
S = 0.91	Δρmin = −0.45 e Å^−3
2562 reflections	Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
174 parameters	Extinction coefficient: 0.00127 (16)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Na1	0.8291 (2)	0.41887 (12)	0.07922 (8)	0.0318 (4)
Na2	0.69268 (17)	0.65268 (11)	0.25478 (7)	0.0248 (3)
Na3	0.79023 (18)	0.42762 (12)	0.42997 (7)	0.0271 (4)
Zn1	0.42413 (4)	0.67826 (3)	0.09632 (2)	0.01812 (12)	0.912 (4)
Cd1	0.42413 (4)	0.67826 (3)	0.09632 (2)	0.01812 (12)	0.088 (4)
B1	0.4192 (5)	0.1571 (3)	0.0744 (2)	0.0195 (8)
B2	0.7256 (5)	0.1729 (4)	0.07257 (19)	0.0198 (8)
B3	0.5612 (5)	0.2868 (3)	0.16320 (19)	0.0174 (7)
B4	0.5534 (5)	0.3497 (3)	0.2967 (2)	0.0206 (8)
B5	0.4884 (6)	0.4782 (3)	0.1978 (2)	0.0239 (9)
O1	0.2779 (3)	0.1189 (2)	0.04400 (13)	0.0260 (6)
O2	0.4154 (3)	0.22647 (18)	0.13473 (12)	0.0211 (5)
O3	0.5761 (3)	0.1244 (2)	0.04691 (13)	0.0261 (6)
O4	0.7176 (3)	0.2455 (2)	0.13046 (12)	0.0215 (5)
O5	0.8686 (3)	0.1418 (2)	0.04139 (13)	0.0286 (6)
O6	0.5712 (3)	0.27092 (17)	0.24380 (12)	0.0220 (5)
O7	0.5416 (3)	0.40273 (18)	0.14568 (12)	0.0226 (6)
O8	0.5100 (4)	0.4541 (2)	0.27321 (13)	0.0380 (8)
O9	0.5732 (3)	0.33154 (19)	0.36916 (11)	0.0241 (5)
O10	0.4228 (4)	0.5721 (2)	0.18019 (14)	0.0390 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0399 (9)	0.0298 (8)	0.0258 (8)	−0.0017 (7)	−0.0048 (7)	0.0019 (6)
Na2	0.0245 (7)	0.0292 (7)	0.0206 (6)	−0.0011 (7)	0.0013 (6)	−0.0035 (7)
Na3	0.0333 (8)	0.0298 (8)	0.0184 (6)	0.0006 (7)	−0.0012 (6)	0.0029 (6)
Zn1	0.01764 (18)	0.01970 (19)	0.01702 (17)	−0.00189 (18)	0.00014 (17)	−0.00138 (16)
Cd1	0.01764 (18)	0.01970 (19)	0.01702 (17)	−0.00189 (18)	0.00014 (17)	−0.00138 (16)
B1	0.0197 (17)	0.0201 (19)	0.0188 (16)	−0.0030 (19)	−0.0011 (17)	−0.0027 (14)
B2	0.0202 (18)	0.026 (2)	0.0135 (15)	0.0030 (19)	−0.0009 (14)	−0.0027 (17)
B3	0.0195 (18)	0.0194 (16)	0.0134 (15)	−0.0001 (16)	−0.0001 (16)	−0.0009 (13)
B4	0.0191 (19)	0.027 (2)	0.0160 (17)	0.0037 (17)	−0.0023 (15)	−0.0037 (15)
B5	0.028 (2)	0.019 (2)	0.025 (2)	0.0007 (17)	−0.0021 (18)	−0.0050 (17)
O1	0.0208 (13)	0.0307 (14)	0.0266 (13)	−0.0029 (12)	−0.0025 (12)	−0.0080 (11)
O2	0.0178 (11)	0.0250 (12)	0.0204 (11)	−0.0016 (11)	−0.0011 (11)	−0.0049 (9)
O3	0.0212 (12)	0.0332 (14)	0.0239 (12)	0.0000 (13)	0.0006 (12)	−0.0142 (11)
O4	0.0187 (12)	0.0255 (13)	0.0204 (11)	0.0009 (11)	−0.0005 (10)	−0.0092 (11)
O5	0.0214 (12)	0.0390 (15)	0.0253 (13)	0.0061 (12)	0.0001 (11)	−0.0140 (12)
O6	0.0318 (13)	0.0200 (11)	0.0142 (10)	0.0056 (12)	0.0008 (11)	−0.0002 (9)
O7	0.0358 (16)	0.0149 (11)	0.0173 (11)	0.0007 (11)	−0.0015 (10)	−0.0009 (9)
O8	0.068 (2)	0.0257 (14)	0.0206 (13)	0.0200 (14)	−0.0123 (14)	−0.0084 (11)
O9	0.0271 (12)	0.0320 (13)	0.0133 (10)	0.0012 (14)	−0.0030 (11)	−0.0030 (10)
O10	0.061 (2)	0.0242 (13)	0.0322 (14)	0.0203 (15)	0.0125 (15)	0.0114 (11)

Geometric parameters (Å, º)

Na1—O1^i	2.310 (3)	Zn1—Na1^iii	3.5615 (16)
Na1—O9^ii	2.404 (3)	B1—O1	1.335 (4)
Na1—O4	2.487 (3)	B1—O2	1.384 (4)
Na1—O7	2.587 (3)	B1—O3	1.400 (4)
Na1—O3^iii	2.700 (3)	B1—Cd1^xi	2.767 (4)
Na1—B4^ii	2.986 (4)	B1—Na1^xii	3.015 (4)
Na1—B1^i	3.015 (4)	B2—O5	1.324 (4)
Na1—O3^i	3.054 (3)	B2—O4	1.376 (4)
Na1—O8^ii	3.059 (3)	B2—O3	1.407 (4)
Na1—B3	3.076 (4)	B2—Na3^xiii	2.903 (4)
Na1—B2	3.135 (5)	B2—Na1^v	3.155 (5)
Na1—B2^iii	3.155 (5)	B3—O4	1.467 (4)
Na1—Na3^iv	3.4250 (19)	B3—O2	1.468 (4)
Na1—Cd1^v	3.5614 (16)	B3—O7	1.468 (4)
Na2—O2^vi	2.355 (3)	B3—O6	1.472 (4)
Na2—O6^iii	2.381 (3)	B3—Na2^xiv	2.996 (4)
Na2—O10^ii	2.388 (3)	B3—Na2^v	3.046 (4)
Na2—O6^vi	2.550 (3)	B4—O9	1.337 (4)
Na2—O4^iii	2.618 (3)	B4—O6	1.369 (4)
Na2—O10	2.719 (3)	B4—O8	1.395 (4)
Na2—O8	2.859 (3)	B4—Na1^x	2.986 (4)
Na2—B5	2.879 (4)	B5—O10	1.305 (5)
Na2—B3^vi	2.996 (4)	B5—O7	1.388 (4)
Na2—B3^iii	3.046 (4)	B5—O8	1.405 (5)
Na2—Zn1^ii	3.2734 (14)	B5—Na3^x	2.862 (4)
Na2—Cd1^ii	3.2734 (14)	O1—Cd1^xi	2.000 (2)
Na3—O5^vii	2.273 (3)	O1—Zn1^xi	2.000 (2)
Na3—O9	2.361 (3)	O1—Na1^xii	2.310 (3)
Na3—O7^ii	2.438 (3)	O1—Na3^xiv	2.458 (3)
Na3—O1^vi	2.458 (3)	O2—Na2^xiv	2.355 (3)
Na3—O3^vii	2.786 (3)	O2—Na3^x	2.910 (3)
Na3—B5^ii	2.862 (4)	O3—Na1^v	2.700 (3)
Na3—O10^ii	2.868 (3)	O3—Na3^xiii	2.786 (3)
Na3—B2^vii	2.903 (4)	O4—Na2^v	2.618 (3)
Na3—O2^ii	2.910 (3)	O5—Cd1^v	1.974 (2)
Na3—Cd1^ii	3.2938 (16)	O5—Zn1^v	1.974 (2)
Na3—Zn1^ii	3.2938 (16)	O5—Na3^xiii	2.273 (3)
Na3—Na1^viii	3.4250 (19)	O6—Na2^v	2.381 (3)
Zn1—O5^iii	1.974 (2)	O6—Na2^xiv	2.550 (3)
Zn1—O9^vi	1.985 (2)	O7—Na3^x	2.438 (3)
Zn1—O10	2.000 (2)	O9—Cd1^xiv	1.985 (2)
Zn1—O1^ix	2.000 (2)	O9—Zn1^xiv	1.985 (2)
Zn1—Na2^x	3.2733 (14)	O9—Na1^x	2.404 (3)
Zn1—Na3^x	3.2938 (16)	O10—Na2^x	2.388 (3)
Zn1—Na3^vi	3.5382 (16)	O10—Na3^x	2.868 (3)
O1^i—Na1—O9^ii	115.21 (10)	O10^ii—Na3—Zn1^ii	37.07 (5)
O1^i—Na1—O4	97.12 (10)	B2^vii—Na3—Zn1^ii	125.68 (9)
O9^ii—Na1—O4	76.10 (9)	O2^ii—Na3—Zn1^ii	128.80 (7)
O1^i—Na1—O7	106.07 (10)	Cd1^ii—Na3—Zn1^ii	0.000 (13)
O9^ii—Na1—O7	119.81 (9)	O5^vii—Na3—Na1^viii	65.50 (8)
O4—Na1—O7	56.45 (8)	O9—Na3—Na1^viii	116.11 (8)
O1^i—Na1—O3^iii	91.64 (9)	O7^ii—Na3—Na1^viii	137.47 (8)
O9^ii—Na1—O3^iii	106.08 (10)	O1^vi—Na3—Na1^viii	42.40 (6)
O4—Na1—O3^iii	169.04 (9)	O3^vii—Na3—Na1^viii	50.25 (6)
O7—Na1—O3^iii	114.72 (9)	B5^ii—Na3—Na1^viii	131.86 (10)
O1^i—Na1—B4^ii	140.44 (12)	O10^ii—Na3—Na1^viii	107.87 (7)
O9^ii—Na1—B4^ii	25.95 (9)	B2^vii—Na3—Na1^viii	59.13 (9)
O4—Na1—B4^ii	71.88 (10)	O2^ii—Na3—Na1^viii	151.51 (7)
O7—Na1—B4^ii	98.98 (10)	Cd1^ii—Na3—Na1^viii	71.79 (4)
O3^iii—Na1—B4^ii	105.21 (10)	Zn1^ii—Na3—Na1^viii	71.79 (4)
O1^i—Na1—B1^i	24.80 (10)	O5^iii—Zn1—O9^vi	111.39 (10)
O9^ii—Na1—B1^i	91.57 (10)	O5^iii—Zn1—O10	103.73 (11)
O4—Na1—B1^i	99.30 (10)	O9^vi—Zn1—O10	112.42 (10)
O7—Na1—B1^i	127.81 (11)	O5^iii—Zn1—O1^ix	110.40 (9)
O3^iii—Na1—B1^i	91.42 (10)	O9^vi—Zn1—O1^ix	120.23 (10)
B4^ii—Na1—B1^i	117.46 (12)	O10—Zn1—O1^ix	96.64 (12)
O1^i—Na1—B3	104.34 (11)	O5^iii—Zn1—Na2^x	149.29 (8)
O9^ii—Na1—B3	97.50 (10)	O9^vi—Zn1—Na2^x	80.73 (7)
O4—Na1—B3	28.10 (9)	O10—Zn1—Na2^x	46.49 (8)
O7—Na1—B3	28.40 (9)	O1^ix—Zn1—Na2^x	84.43 (7)
O3^iii—Na1—B3	142.49 (10)	O5^iii—Zn1—Na3^x	89.10 (8)
B4^ii—Na1—B3	83.80 (11)	O9^vi—Zn1—Na3^x	159.51 (8)
B1^i—Na1—B3	117.05 (11)	O10—Zn1—Na3^x	59.81 (9)
O1^i—Na1—B2	73.94 (10)	O1^ix—Zn1—Na3^x	48.05 (8)
O9^ii—Na1—B2	78.20 (10)	Na2^x—Zn1—Na3^x	81.22 (3)
O4—Na1—B2	25.10 (8)	O5^iii—Zn1—Na3^vi	122.04 (8)
O7—Na1—B2	73.29 (9)	O9^vi—Zn1—Na3^vi	39.19 (7)
O3^iii—Na1—B2	165.25 (10)	O10—Zn1—Na3^vi	131.64 (8)
B4^ii—Na1—B2	84.87 (11)	O1^ix—Zn1—Na3^vi	82.34 (8)
B1^i—Na1—B2	74.22 (10)	Na2^x—Zn1—Na3^vi	85.61 (3)
B3—Na1—B2	47.84 (10)	Na3^x—Zn1—Na3^vi	129.47 (2)
O1^i—Na1—B2^iii	97.93 (10)	O5^iii—Zn1—Na1^iii	71.71 (8)
O9^ii—Na1—B2^iii	124.59 (10)	O9^vi—Zn1—Na1^iii	39.91 (7)
O4—Na1—B2^iii	144.44 (10)	O10—Zn1—Na1^iii	127.64 (9)
O7—Na1—B2^iii	88.40 (10)	O1^ix—Zn1—Na1^iii	134.71 (8)
O3^iii—Na1—B2^iii	26.37 (8)	Na2^x—Zn1—Na1^iii	117.39 (3)
B4^ii—Na1—B2^iii	113.11 (11)	Na3^x—Zn1—Na1^iii	160.39 (3)
B1^i—Na1—B2^iii	107.72 (11)	Na3^vi—Zn1—Na1^iii	62.20 (4)
B3—Na1—B2^iii	116.48 (11)	O5^iii—Zn1—Na2	83.43 (8)
B2—Na1—B2^iii	156.47 (6)	O9^vi—Zn1—Na2	79.97 (7)
O1^i—Na1—Na3^iv	45.83 (7)	O10—Zn1—Na2	48.75 (9)
O9^ii—Na1—Na3^iv	140.76 (8)	O1^ix—Zn1—Na2	145.37 (8)
O4—Na1—Na3^iv	131.83 (8)	Na2^x—Zn1—Na2	70.674 (14)
O7—Na1—Na3^iv	99.41 (7)	Na3^x—Zn1—Na2	103.02 (3)
O3^iii—Na1—Na3^iv	52.51 (6)	Na3^vi—Zn1—Na2	118.00 (3)
B4^ii—Na1—Na3^iv	155.89 (9)	Na1^iii—Zn1—Na2	79.33 (3)
B1^i—Na1—Na3^iv	60.76 (8)	O1—B1—O2	121.5 (3)
B3—Na1—Na3^iv	119.19 (9)	O1—B1—O3	120.0 (3)
B2—Na1—Na3^iv	115.38 (8)	O2—B1—O3	118.4 (3)
B2^iii—Na1—Na3^iv	52.17 (7)	O1—B1—Cd1^xi	42.59 (16)
O1^i—Na1—Cd1^v	90.77 (8)	O2—B1—Cd1^xi	78.9 (2)
O9^ii—Na1—Cd1^v	31.99 (6)	O3—B1—Cd1^xi	162.6 (2)
O4—Na1—Cd1^v	56.75 (6)	O1—B1—Na1^xii	46.55 (16)
O7—Na1—Cd1^v	112.43 (7)	O2—B1—Na1^xii	155.6 (3)
O3^iii—Na1—Cd1^v	129.97 (8)	O3—B1—Na1^xii	78.18 (18)
B4^ii—Na1—Cd1^v	50.97 (8)	Cd1^xi—B1—Na1^xii	85.80 (11)
B1^i—Na1—Cd1^v	72.05 (8)	O5—B2—O4	123.4 (3)
B3—Na1—Cd1^v	84.23 (8)	O5—B2—O3	117.4 (3)
B2—Na1—Cd1^v	49.21 (8)	O4—B2—O3	119.1 (3)
B2^iii—Na1—Cd1^v	154.29 (9)	O5—B2—Na3^xiii	49.29 (16)
Na3^iv—Na1—Cd1^v	132.69 (5)	O4—B2—Na3^xiii	163.5 (3)
O2^vi—Na2—O6^iii	97.04 (9)	O3—B2—Na3^xiii	71.11 (17)
O2^vi—Na2—O10^ii	91.24 (9)	O5—B2—Na1	94.0 (2)
O6^iii—Na2—O10^ii	72.03 (10)	O4—B2—Na1	50.05 (18)
O2^vi—Na2—O6^vi	58.16 (8)	O3—B2—Na1	130.0 (2)
O6^iii—Na2—O6^vi	107.46 (9)	Na3^xiii—B2—Na1	113.46 (13)
O10^ii—Na2—O6^vi	149.35 (10)	O5—B2—Na1^v	81.3 (2)
O2^vi—Na2—O4^iii	131.20 (9)	O4—B2—Na1^v	127.3 (2)
O6^iii—Na2—O4^iii	56.51 (8)	O3—B2—Na1^v	58.45 (19)
O10^ii—Na2—O4^iii	113.25 (11)	Na3^xiii—B2—Na1^v	68.70 (10)
O6^vi—Na2—O4^iii	89.07 (8)	Na1—B2—Na1^v	171.50 (14)
O2^vi—Na2—O10	105.86 (10)	O4—B3—O2	110.6 (3)
O6^iii—Na2—O10	143.33 (9)	O4—B3—O7	109.8 (3)
O10^ii—Na2—O10	134.11 (12)	O2—B3—O7	109.4 (3)
O6^vi—Na2—O10	64.21 (8)	O4—B3—O6	107.9 (3)
O4^iii—Na2—O10	87.01 (8)	O2—B3—O6	108.8 (3)
O2^vi—Na2—O8	92.59 (8)	O7—B3—O6	110.4 (3)
O6^iii—Na2—O8	158.52 (10)	O4—B3—Na2^xiv	125.4 (2)
O10^ii—Na2—O8	88.67 (10)	O2—B3—Na2^xiv	50.56 (15)
O6^vi—Na2—O8	93.94 (9)	O7—B3—Na2^xiv	124.7 (2)
O4^iii—Na2—O8	127.59 (8)	O6—B3—Na2^xiv	58.25 (17)
O10—Na2—O8	49.20 (7)	O4—B3—Na2^v	59.21 (16)
O2^vi—Na2—B5	112.63 (11)	O2—B3—Na2^v	115.0 (2)
O6^iii—Na2—B5	150.29 (11)	O7—B3—Na2^v	135.3 (2)
O10^ii—Na2—B5	107.34 (12)	O6—B3—Na2^v	49.90 (16)
O6^vi—Na2—B5	88.01 (11)	Na2^xiv—B3—Na2^v	82.25 (9)
O4^iii—Na2—B5	99.84 (10)	O4—B3—Na1	52.99 (16)
O10—Na2—B5	26.77 (10)	O2—B3—Na1	129.7 (2)
O8—Na2—B5	28.35 (9)	O7—B3—Na1	56.95 (17)
O2^vi—Na2—B3^vi	28.77 (9)	O6—B3—Na1	121.4 (2)
O6^iii—Na2—B3^vi	103.60 (10)	Na2^xiv—B3—Na1	178.31 (15)
O10^ii—Na2—B3^vi	119.98 (10)	Na2^v—B3—Na1	96.30 (12)
O6^vi—Na2—B3^vi	29.39 (8)	O9—B4—O6	123.6 (3)
O4^iii—Na2—B3^vi	111.57 (10)	O9—B4—O8	118.8 (3)
O10—Na2—B3^vi	85.15 (10)	O6—B4—O8	117.6 (3)
O8—Na2—B3^vi	94.07 (10)	O9—B4—Na1^x	51.91 (17)
B5—Na2—B3^vi	102.00 (12)	O6—B4—Na1^x	142.0 (3)
O2^vi—Na2—B3^iii	119.08 (10)	O8—B4—Na1^x	79.6 (2)
O6^iii—Na2—B3^iii	28.21 (9)	O10—B5—O7	123.2 (3)
O10^ii—Na2—B3^iii	90.05 (11)	O10—B5—O8	118.1 (3)
O6^vi—Na2—B3^iii	102.95 (10)	O7—B5—O8	118.7 (3)
O4^iii—Na2—B3^iii	28.77 (8)	O10—B5—Na3^x	77.1 (2)
O10—Na2—B3^iii	115.71 (10)	O7—B5—Na3^x	58.31 (18)
O8—Na2—B3^iii	148.33 (10)	O8—B5—Na3^x	143.4 (3)
B5—Na2—B3^iii	124.77 (12)	O10—B5—Na2	69.8 (2)
B3^vi—Na2—B3^iii	113.74 (13)	O7—B5—Na2	124.7 (3)
O2^vi—Na2—Zn1^ii	58.06 (6)	O8—B5—Na2	75.0 (2)
O6^iii—Na2—Zn1^ii	64.38 (6)	Na3^x—B5—Na2	139.48 (16)
O10^ii—Na2—Zn1^ii	37.41 (6)	B1—O1—Cd1^xi	110.6 (2)
O6^vi—Na2—Zn1^ii	113.47 (7)	B1—O1—Zn1^xi	110.6 (2)
O4^iii—Na2—Zn1^ii	120.70 (7)	Cd1^xi—O1—Zn1^xi	0.00 (2)
O10—Na2—Zn1^ii	152.26 (7)	B1—O1—Na1^xii	108.6 (2)
O8—Na2—Zn1^ii	105.74 (6)	Cd1^xi—O1—Na1^xii	132.05 (12)
B5—Na2—Zn1^ii	132.99 (9)	Zn1^xi—O1—Na1^xii	132.05 (12)
B3^vi—Na2—Zn1^ii	85.32 (8)	B1—O1—Na3^xiv	116.3 (2)
B3^iii—Na2—Zn1^ii	91.96 (8)	Cd1^xi—O1—Na3^xiv	94.70 (10)
O2^vi—Na2—Cd1^ii	58.06 (6)	Zn1^xi—O1—Na3^xiv	94.70 (10)
O6^iii—Na2—Cd1^ii	64.38 (6)	Na1^xii—O1—Na3^xiv	91.77 (10)
O10^ii—Na2—Cd1^ii	37.41 (6)	B1—O2—B3	124.8 (3)
O6^vi—Na2—Cd1^ii	113.47 (7)	B1—O2—Na2^xiv	116.0 (2)
O4^iii—Na2—Cd1^ii	120.70 (7)	B3—O2—Na2^xiv	100.66 (18)
O10—Na2—Cd1^ii	152.26 (7)	B1—O2—Na3^x	102.4 (2)
O8—Na2—Cd1^ii	105.74 (6)	B3—O2—Na3^x	88.90 (18)
B5—Na2—Cd1^ii	132.99 (9)	Na2^xiv—O2—Na3^x	122.91 (10)
B3^vi—Na2—Cd1^ii	85.32 (8)	B1—O3—B2	120.8 (3)
B3^iii—Na2—Cd1^ii	91.96 (8)	B1—O3—Na1^v	116.1 (2)
Zn1^ii—Na2—Cd1^ii	0.000 (14)	B2—O3—Na1^v	95.2 (2)
O5^vii—Na3—O9	115.10 (10)	B1—O3—Na3^xiii	151.4 (2)
O5^vii—Na3—O7^ii	103.02 (10)	B2—O3—Na3^xiii	80.35 (18)
O9—Na3—O7^ii	105.90 (9)	Na1^v—O3—Na3^xiii	77.25 (7)
O5^vii—Na3—O1^vi	104.47 (10)	B2—O4—B3	124.8 (3)
O9—Na3—O1^vi	114.00 (10)	B2—O4—Na1	104.9 (2)
O7^ii—Na3—O1^vi	114.05 (9)	B3—O4—Na1	98.91 (19)
O5^vii—Na3—O3^vii	53.80 (8)	B2—O4—Na2^v	110.9 (2)
O9—Na3—O3^vii	78.04 (8)	B3—O4—Na2^v	92.02 (17)
O7^ii—Na3—O3^vii	153.61 (9)	Na1—O4—Na2^v	126.59 (10)
O1^vi—Na3—O3^vii	86.56 (8)	B2—O5—Cd1^v	115.8 (2)
O5^vii—Na3—B5^ii	130.19 (12)	B2—O5—Zn1^v	115.8 (2)
O9—Na3—B5^ii	97.75 (11)	Cd1^v—O5—Zn1^v	0.00 (2)
O7^ii—Na3—B5^ii	28.97 (10)	B2—O5—Na3^xiii	104.5 (2)
O1^vi—Na3—B5^ii	93.86 (11)	Cd1^v—O5—Na3^xiii	139.36 (13)
O3^vii—Na3—B5^ii	175.52 (12)	Zn1^v—O5—Na3^xiii	139.36 (13)
O5^vii—Na3—O10^ii	138.30 (11)	B4—O6—B3	126.3 (3)
O9—Na3—O10^ii	104.76 (9)	B4—O6—Na2^v	117.1 (2)
O7^ii—Na3—O10^ii	52.28 (8)	B3—O6—Na2^v	101.9 (2)
O1^vi—Na3—O10^ii	67.74 (8)	B4—O6—Na2^xiv	108.2 (2)
O3^vii—Na3—O10^ii	153.17 (9)	B3—O6—Na2^xiv	92.4 (2)
B5^ii—Na3—O10^ii	26.34 (9)	Na2^v—O6—Na2^xiv	107.36 (9)
O5^vii—Na3—B2^vii	26.19 (10)	B5—O7—B3	122.4 (3)
O9—Na3—B2^vii	94.07 (11)	B5—O7—Na3^x	92.7 (2)
O7^ii—Na3—B2^vii	126.07 (11)	B3—O7—Na3^x	109.2 (2)
O1^vi—Na3—B2^vii	101.45 (11)	B5—O7—Na1	122.1 (2)
O3^vii—Na3—B2^vii	28.54 (9)	B3—O7—Na1	94.7 (2)
B5^ii—Na3—B2^vii	154.88 (13)	Na3^x—O7—Na1	116.90 (9)
O10^ii—Na3—B2^vii	160.82 (11)	B4—O8—B5	121.3 (3)
O5^vii—Na3—O2^ii	86.75 (9)	B4—O8—Na2	134.1 (2)
O9—Na3—O2^ii	68.73 (8)	B5—O8—Na2	76.6 (2)
O7^ii—Na3—O2^ii	52.31 (8)	B4—O9—Cd1^xiv	117.9 (2)
O1^vi—Na3—O2^ii	164.75 (9)	B4—O9—Zn1^xiv	117.9 (2)
O3^vii—Na3—O2^ii	108.55 (8)	Cd1^xiv—O9—Zn1^xiv	0.00 (2)
B5^ii—Na3—O2^ii	70.91 (10)	B4—O9—Na3	117.2 (2)
O10^ii—Na3—O2^ii	97.01 (8)	Cd1^xiv—O9—Na3	108.72 (10)
B2^vii—Na3—O2^ii	93.16 (11)	Zn1^xiv—O9—Na3	108.72 (10)
O5^vii—Na3—Cd1^ii	112.99 (8)	B4—O9—Na1^x	102.1 (2)
O9—Na3—Cd1^ii	129.54 (8)	Cd1^xiv—O9—Na1^x	108.10 (11)
O7^ii—Na3—Cd1^ii	76.84 (7)	Zn1^xiv—O9—Na1^x	108.10 (11)
O1^vi—Na3—Cd1^ii	37.25 (6)	Na3—O9—Na1^x	100.64 (9)
O3^vii—Na3—Cd1^ii	121.39 (7)	B5—O10—Zn1	139.4 (3)
B5^ii—Na3—Cd1^ii	60.18 (9)	B5—O10—Na2^x	123.5 (2)
O10^ii—Na3—Cd1^ii	37.07 (5)	Zn1—O10—Na2^x	96.10 (10)
B2^vii—Na3—Cd1^ii	125.68 (9)	B5—O10—Na2	83.5 (2)
O2^ii—Na3—Cd1^ii	128.80 (7)	Zn1—O10—Na2	97.68 (11)
O5^vii—Na3—Zn1^ii	112.99 (8)	Na2^x—O10—Na2	102.02 (10)
O9—Na3—Zn1^ii	129.54 (8)	B5—O10—Na3^x	76.6 (2)
O7^ii—Na3—Zn1^ii	76.84 (7)	Zn1—O10—Na3^x	83.12 (10)
O1^vi—Na3—Zn1^ii	37.25 (6)	Na2^x—O10—Na3^x	108.52 (12)
O3^vii—Na3—Zn1^ii	121.39 (7)	Na2—O10—Na3^x	149.21 (11)
B5^ii—Na3—Zn1^ii	60.18 (9)

Symmetry codes: (i) x+1/2, −y+1/2, −z; (ii) x+1/2, y, −z+1/2; (iii) −x+3/2, y+1/2, z; (iv) −x+3/2, −y+1, z−1/2; (v) −x+3/2, y−1/2, z; (vi) −x+1, y+1/2, −z+1/2; (vii) x, −y+1/2, z+1/2; (viii) −x+3/2, −y+1, z+1/2; (ix) −x+1/2, y+1/2, z; (x) x−1/2, y, −z+1/2; (xi) −x+1/2, y−1/2, z; (xii) x−1/2, −y+1/2, −z; (xiii) x, −y+1/2, z−1/2; (xiv) −x+1, y−1/2, −z+1/2.

Trisodium zinc magnesium pentaborate (II)

Crystal data

Na3Zn0.845Mg0.155B5O10	Dx = 2.597 Mg m^−3
Mr = 342.03	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pbca	Cell parameters from 25 reflections
a = 7.8931 (12) Å	θ = 10.2–22.2°
b = 12.2555 (12) Å	µ = 2.60 mm^−1
c = 18.0874 (11) Å	T = 293 K
V = 1749.7 (3) Å^3	Prism, colorless
Z = 8	0.30 × 0.20 × 0.20 mm
F(000) = 1321.7

Data collection

Rigaku AFC-7R diffractometer	Rint = 0.053
Radiation source: fine-focus sealed tube	θmax = 30.0°, θmin = 2.3°
2θ – ω scans	h = 0→11
Absorption correction: ψ scan (Kopfmann & Huber, 1968)	k = 0→17
Tmin = 0.532, Tmax = 0.603	l = 0→25
2982 measured reflections	3 standard reflections every 150 reflections
2542 independent reflections	intensity decay: 1.8%
1496 reflections with I > 2σ(I)

Refinement

Refinement on F^2	173 parameters
Least-squares matrix: full	0 restraints
R[F^2 > 2σ(F^2)] = 0.044	w = 1/[σ^2(Fo^2) + (0.0554P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.113	(Δ/σ)max < 0.001
S = 0.87	Δρmax = 1.59 e Å^−3
2542 reflections	Δρmin = −0.70 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Na1	0.8316 (2)	0.41813 (15)	0.07839 (9)	0.0239 (4)
Na2	0.6897 (2)	0.65191 (14)	0.25456 (9)	0.0206 (4)
Na3	0.7931 (2)	0.42713 (14)	0.42996 (9)	0.0200 (4)
Zn1	0.42299 (6)	0.67666 (4)	0.09703 (3)	0.01104 (14)	0.845 (5)
Mg1	0.42299 (6)	0.67666 (4)	0.09703 (3)	0.01104 (14)	0.155 (5)
B1	0.4227 (6)	0.1568 (3)	0.0748 (2)	0.0130 (8)
B2	0.7313 (6)	0.1729 (4)	0.0738 (2)	0.0152 (9)
B3	0.5641 (6)	0.2867 (4)	0.1632 (2)	0.0125 (8)
B4	0.5572 (5)	0.3497 (4)	0.2970 (2)	0.0128 (8)
B5	0.4890 (6)	0.4793 (4)	0.1982 (2)	0.0159 (9)
O1	0.2775 (3)	0.1191 (2)	0.04430 (15)	0.0143 (6)
O2	0.4175 (3)	0.2267 (2)	0.13508 (15)	0.0159 (6)
O3	0.5784 (4)	0.1245 (2)	0.04716 (15)	0.0174 (6)
O4	0.7209 (4)	0.2457 (2)	0.13007 (15)	0.0180 (6)
O5	0.8743 (4)	0.1431 (3)	0.04167 (16)	0.0209 (7)
O6	0.5735 (4)	0.2706 (2)	0.24378 (14)	0.0158 (6)
O7	0.5439 (4)	0.4035 (2)	0.14602 (14)	0.0168 (6)
O8	0.5099 (5)	0.4543 (2)	0.27360 (15)	0.0283 (8)
O9	0.5753 (3)	0.3304 (2)	0.36922 (13)	0.0140 (5)
O10	0.4240 (4)	0.5735 (2)	0.17972 (16)	0.0247 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Na1	0.0291 (10)	0.0218 (9)	0.0206 (9)	−0.0003 (8)	−0.0034 (7)	0.0017 (7)
Na2	0.0211 (9)	0.0221 (8)	0.0186 (8)	−0.0020 (7)	0.0004 (7)	−0.0022 (7)
Na3	0.0235 (9)	0.0211 (9)	0.0154 (7)	0.0011 (8)	−0.0026 (7)	0.0019 (6)
Zn1	0.0112 (2)	0.0106 (2)	0.0112 (2)	−0.0005 (2)	0.0001 (2)	−0.00064 (19)
Mg1	0.0112 (2)	0.0106 (2)	0.0112 (2)	−0.0005 (2)	0.0001 (2)	−0.00064 (19)
B1	0.0127 (18)	0.015 (2)	0.0114 (17)	0.0013 (18)	0.0066 (17)	−0.0031 (14)
B2	0.019 (2)	0.012 (2)	0.0146 (18)	0.0023 (18)	0.0120 (17)	−0.0025 (17)
B3	0.017 (2)	0.0116 (17)	0.0086 (17)	0.0032 (17)	−0.0014 (17)	0.0005 (14)
B4	0.0098 (19)	0.0127 (19)	0.016 (2)	0.0025 (16)	−0.0006 (16)	−0.0045 (15)
B5	0.024 (2)	0.012 (2)	0.011 (2)	0.0034 (18)	−0.0028 (18)	−0.0025 (16)
O1	0.0121 (13)	0.0150 (14)	0.0159 (13)	−0.0008 (11)	0.0042 (11)	−0.0058 (11)
O2	0.0134 (13)	0.0197 (14)	0.0147 (13)	−0.0020 (12)	−0.0010 (12)	−0.0088 (11)
O3	0.0114 (12)	0.0239 (15)	0.0170 (13)	0.0023 (13)	0.0021 (12)	−0.0112 (11)
O4	0.0150 (14)	0.0187 (14)	0.0204 (14)	−0.0008 (12)	−0.0003 (12)	−0.0088 (12)
O5	0.0128 (13)	0.0301 (16)	0.0197 (15)	0.0046 (12)	0.0005 (12)	−0.0089 (13)
O6	0.0278 (15)	0.0098 (12)	0.0100 (12)	0.0043 (12)	−0.0002 (12)	−0.0011 (10)
O7	0.0285 (17)	0.0107 (13)	0.0112 (12)	0.0022 (11)	−0.0014 (11)	−0.0003 (10)
O8	0.058 (2)	0.0135 (14)	0.0133 (14)	0.0107 (15)	−0.0080 (15)	−0.0036 (12)
O9	0.0204 (13)	0.0116 (13)	0.0101 (12)	−0.0002 (12)	−0.0023 (11)	0.0004 (10)
O10	0.0411 (19)	0.0148 (13)	0.0181 (14)	0.0109 (15)	0.0040 (15)	0.0050 (11)

Geometric parameters (Å, º)

Na1—O1^i	2.305 (3)	B1—O3	1.384 (5)
Na1—O9^ii	2.399 (3)	B1—O2	1.388 (5)
Na1—O4	2.470 (3)	B1—Mg1^xi	2.769 (5)
Na1—O7	2.586 (3)	B1—Na1^xii	3.006 (5)
Na1—O3^iii	2.687 (3)	B2—O5	1.321 (5)
Na1—B4^ii	2.992 (5)	B2—O4	1.357 (5)
Na1—B1^i	3.006 (5)	B2—O3	1.428 (5)
Na1—B3	3.067 (5)	B2—Mg1^v	2.762 (5)
Na1—B2	3.110 (5)	B2—Na3^xiii	2.916 (4)
Na1—B2^iii	3.162 (5)	B2—Na1^v	3.162 (5)
Na1—Na3^iv	3.431 (2)	B3—O2	1.462 (5)
Na1—Zn1^v	3.5530 (18)	B3—O4	1.464 (5)
Na2—O2^vi	2.354 (3)	B3—O6	1.473 (5)
Na2—O6^iii	2.377 (3)	B3—O7	1.474 (5)
Na2—O10^ii	2.399 (4)	B3—Na2^xiv	2.992 (5)
Na2—O6^vi	2.536 (3)	B3—Na2^v	3.039 (5)
Na2—O4^iii	2.625 (3)	B4—O9	1.335 (5)
Na2—O10	2.675 (4)	B4—O6	1.372 (5)
Na2—O8	2.828 (4)	B4—O8	1.400 (5)
Na2—B5	2.832 (5)	B4—Mg1^xiv	2.863 (5)
Na2—B3^vi	2.992 (5)	B4—Na1^x	2.992 (5)
Na2—B3^iii	3.039 (5)	B5—O10	1.307 (5)
Na2—Zn1^ii	3.2693 (17)	B5—O7	1.393 (5)
Na2—Mg1^ii	3.2693 (17)	B5—O8	1.407 (5)
Na3—O5^vii	2.288 (3)	B5—Na3^x	2.859 (5)
Na3—O9	2.360 (3)	O1—Mg1^xi	1.978 (3)
Na3—O7^ii	2.427 (3)	O1—Zn1^xi	1.978 (3)
Na3—O1^vi	2.462 (3)	O1—Na1^xii	2.305 (3)
Na3—O3^vii	2.787 (3)	O1—Na3^xiv	2.462 (3)
Na3—B5^ii	2.859 (5)	O2—Na2^xiv	2.354 (3)
Na3—O10^ii	2.867 (4)	O2—Na3^x	2.895 (3)
Na3—O2^ii	2.895 (3)	O3—Na1^v	2.687 (3)
Na3—B2^vii	2.916 (4)	O3—Na3^xiii	2.787 (3)
Na3—Mg1^ii	3.2620 (18)	O4—Na2^v	2.625 (3)
Na3—Zn1^ii	3.2620 (18)	O5—Mg1^v	1.932 (3)
Na3—Na1^viii	3.431 (2)	O5—Zn1^v	1.932 (3)
Zn1—O5^iii	1.932 (3)	O5—Na3^xiii	2.288 (3)
Zn1—O10	1.958 (3)	O6—Na2^v	2.377 (3)
Zn1—O1^ix	1.978 (3)	O6—Na2^xiv	2.536 (3)
Zn1—O9^vi	1.980 (3)	O7—Na3^x	2.427 (3)
Zn1—Na3^x	3.2620 (18)	O9—Mg1^xiv	1.980 (3)
Zn1—Na2^x	3.2692 (17)	O9—Zn1^xiv	1.980 (3)
Zn1—Na3^vi	3.5456 (18)	O9—Na1^x	2.399 (3)
Zn1—Na1^iii	3.5530 (19)	O10—Na2^x	2.399 (4)
B1—O1	1.353 (5)	O10—Na3^x	2.867 (4)
O1^i—Na1—O9^ii	116.11 (11)	O9—Na3—Na1^viii	115.65 (9)
O1^i—Na1—O4	97.45 (11)	O7^ii—Na3—Na1^viii	137.98 (10)
O9^ii—Na1—O4	75.55 (10)	O1^vi—Na3—Na1^viii	42.18 (7)
O1^i—Na1—O7	106.21 (11)	O3^vii—Na3—Na1^viii	49.89 (7)
O9^ii—Na1—O7	119.10 (11)	B5^ii—Na3—Na1^viii	131.76 (11)
O4—Na1—O7	56.72 (10)	O10^ii—Na3—Na1^viii	107.39 (8)
O1^i—Na1—O3^iii	91.88 (10)	O2^ii—Na3—Na1^viii	152.15 (8)
O9^ii—Na1—O3^iii	107.04 (11)	B2^vii—Na3—Na1^viii	59.09 (10)
O4—Na1—O3^iii	168.01 (11)	Mg1^ii—Na3—Na1^viii	71.89 (5)
O7—Na1—O3^iii	113.37 (11)	Zn1^ii—Na3—Na1^viii	71.89 (5)
O1^i—Na1—B4^ii	141.23 (13)	O5^iii—Zn1—O10	104.78 (13)
O9^ii—Na1—B4^ii	25.79 (10)	O5^iii—Zn1—O1^ix	109.67 (11)
O4—Na1—B4^ii	71.67 (11)	O10—Zn1—O1^ix	98.11 (13)
O7—Na1—B4^ii	98.45 (11)	O5^iii—Zn1—O9^vi	110.90 (12)
O3^iii—Na1—B4^ii	105.36 (12)	O10—Zn1—O9^vi	112.24 (11)
O1^i—Na1—B1^i	25.40 (11)	O1^ix—Zn1—O9^vi	119.58 (11)
O9^ii—Na1—B1^i	92.03 (12)	O5^iii—Zn1—Na3^x	89.02 (10)
O4—Na1—B1^i	99.92 (12)	O10—Zn1—Na3^x	60.69 (10)
O7—Na1—B1^i	128.69 (12)	O1^ix—Zn1—Na3^x	48.85 (8)
O3^iii—Na1—B1^i	91.74 (11)	O9^vi—Zn1—Na3^x	160.08 (9)
B4^ii—Na1—B1^i	117.79 (13)	O5^iii—Zn1—Na2^x	150.73 (10)
O1^i—Na1—B3	104.49 (12)	O10—Zn1—Na2^x	46.78 (9)
O9^ii—Na1—B3	96.83 (12)	O1^ix—Zn1—Na2^x	84.96 (8)
O4—Na1—B3	28.11 (10)	O9^vi—Zn1—Na2^x	80.74 (8)
O7—Na1—B3	28.65 (10)	Na3^x—Zn1—Na2^x	81.89 (4)
O3^iii—Na1—B3	141.40 (12)	O5^iii—Zn1—Na3^vi	120.77 (10)
B4^ii—Na1—B3	83.44 (12)	O10—Zn1—Na3^vi	131.75 (9)
B1^i—Na1—B3	117.74 (13)	O1^ix—Zn1—Na3^vi	81.81 (8)
O1^i—Na1—B2	74.68 (11)	O9^vi—Zn1—Na3^vi	38.94 (8)
O9^ii—Na1—B2	77.38 (12)	Na3^x—Zn1—Na3^vi	129.78 (2)
O4—Na1—B2	24.94 (10)	Na2^x—Zn1—Na3^vi	85.55 (4)
O7—Na1—B2	73.87 (11)	O5^iii—Zn1—Na1^iii	71.14 (10)
O3^iii—Na1—B2	166.29 (12)	O10—Zn1—Na1^iii	127.44 (10)
B4^ii—Na1—B2	84.31 (13)	O1^ix—Zn1—Na1^iii	133.45 (9)
B1^i—Na1—B2	74.99 (12)	O9^vi—Zn1—Na1^iii	39.93 (9)
B3—Na1—B2	47.96 (11)	Na3^x—Zn1—Na1^iii	159.71 (4)
O1^i—Na1—B2^iii	98.09 (11)	Na2^x—Zn1—Na1^iii	117.54 (4)
O9^ii—Na1—B2^iii	125.37 (12)	Na3^vi—Zn1—Na1^iii	61.85 (4)
O4—Na1—B2^iii	143.05 (13)	O5^iii—Zn1—Na2	84.66 (9)
O7—Na1—B2^iii	86.73 (12)	O10—Zn1—Na2	47.97 (10)
O3^iii—Na1—B2^iii	26.71 (10)	O1^ix—Zn1—Na2	146.06 (9)
B4^ii—Na1—B2^iii	112.96 (12)	O9^vi—Zn1—Na2	80.21 (8)
B1^i—Na1—B2^iii	108.33 (13)	Na3^x—Zn1—Na2	103.06 (4)
B3—Na1—B2^iii	115.08 (13)	Na2^x—Zn1—Na2	70.585 (14)
B2—Na1—B2^iii	156.02 (7)	Na3^vi—Zn1—Na2	117.98 (4)
O1^i—Na1—Na3^iv	45.81 (8)	Na1^iii—Zn1—Na2	79.88 (4)
O9^ii—Na1—Na3^iv	141.90 (10)	O1—B1—O3	120.5 (3)
O4—Na1—Na3^iv	131.87 (9)	O1—B1—O2	120.4 (4)
O7—Na1—Na3^iv	99.00 (9)	O3—B1—O2	119.1 (4)
O3^iii—Na1—Na3^iv	52.49 (7)	O1—B1—Mg1^xi	41.80 (17)
B4^ii—Na1—Na3^iv	156.20 (11)	O3—B1—Mg1^xi	162.2 (3)
B1^i—Na1—Na3^iv	61.07 (9)	O2—B1—Mg1^xi	78.6 (2)
B3—Na1—Na3^iv	118.95 (10)	O1—B1—Na1^xii	46.95 (18)
B2—Na1—Na3^iv	116.11 (10)	O3—B1—Na1^xii	78.0 (2)
B2^iii—Na1—Na3^iv	52.31 (8)	O2—B1—Na1^xii	154.9 (3)
O1^i—Na1—Zn1^v	91.58 (8)	Mg1^xi—B1—Na1^xii	85.69 (13)
O9^ii—Na1—Zn1^v	32.00 (6)	O5—B2—O4	124.3 (4)
O4—Na1—Zn1^v	56.24 (7)	O5—B2—O3	117.3 (4)
O7—Na1—Zn1^v	112.11 (8)	O4—B2—O3	118.4 (3)
O3^iii—Na1—Zn1^v	131.28 (9)	O5—B2—Mg1^v	39.4 (2)
B4^ii—Na1—Zn1^v	50.99 (9)	O4—B2—Mg1^v	86.2 (3)
B1^i—Na1—Zn1^v	72.70 (9)	O3—B2—Mg1^v	153.3 (3)
B3—Na1—Zn1^v	83.71 (9)	O5—B2—Na3^xiii	49.38 (19)
B2—Na1—Zn1^v	48.41 (9)	O4—B2—Na3^xiii	162.9 (3)
B2^iii—Na1—Zn1^v	155.55 (10)	O3—B2—Na3^xiii	70.5 (2)
Na3^iv—Na1—Zn1^v	133.71 (6)	Mg1^v—B2—Na3^xiii	88.71 (12)
O2^vi—Na2—O6^iii	96.54 (11)	O5—B2—Na1	93.5 (3)
O2^vi—Na2—O10^ii	90.74 (11)	O4—B2—Na1	50.1 (2)
O6^iii—Na2—O10^ii	71.31 (11)	O3—B2—Na1	128.7 (3)
O2^vi—Na2—O6^vi	58.14 (9)	Mg1^v—B2—Na1	74.21 (12)
O6^iii—Na2—O6^vi	107.09 (11)	Na3^xiii—B2—Na1	112.80 (14)
O10^ii—Na2—O6^vi	148.77 (12)	O5—B2—Na1^v	82.7 (3)
O2^vi—Na2—O4^iii	130.80 (11)	O4—B2—Na1^v	128.3 (3)
O6^iii—Na2—O4^iii	56.64 (10)	O3—B2—Na1^v	57.7 (2)
O10^ii—Na2—O4^iii	113.16 (12)	Mg1^v—B2—Na1^v	99.65 (14)
O6^vi—Na2—O4^iii	88.79 (10)	Na3^xiii—B2—Na1^v	68.60 (11)
O2^vi—Na2—O10	106.68 (11)	Na1—B2—Na1^v	173.51 (18)
O6^iii—Na2—O10	142.66 (11)	O2—B3—O4	110.8 (3)
O10^ii—Na2—O10	135.35 (14)	O2—B3—O6	108.5 (3)
O6^vi—Na2—O10	64.51 (10)	O4—B3—O6	108.5 (3)
O4^iii—Na2—O10	86.21 (10)	O2—B3—O7	109.2 (3)
O2^vi—Na2—O8	92.86 (10)	O4—B3—O7	109.8 (3)
O6^iii—Na2—O8	158.26 (12)	O6—B3—O7	110.1 (3)
O10^ii—Na2—O8	89.05 (11)	O2—B3—Na2^xiv	50.63 (17)
O6^vi—Na2—O8	94.52 (10)	O4—B3—Na2^xiv	125.5 (3)
O4^iii—Na2—O8	127.91 (10)	O6—B3—Na2^xiv	57.85 (19)
O10—Na2—O8	50.26 (9)	O7—B3—Na2^xiv	124.7 (3)
O2^vi—Na2—B5	113.27 (13)	O2—B3—Na2^v	115.0 (2)
O6^iii—Na2—B5	150.17 (13)	O4—B3—Na2^v	59.70 (19)
O10^ii—Na2—B5	108.08 (13)	O6—B3—Na2^v	49.99 (18)
O6^vi—Na2—B5	88.55 (12)	O7—B3—Na2^v	135.4 (3)
O4^iii—Na2—B5	99.71 (12)	Na2^xiv—B3—Na2^v	81.82 (11)
O10—Na2—B5	27.27 (11)	O2—B3—Na1	129.4 (2)
O8—Na2—B5	28.79 (11)	O4—B3—Na1	52.65 (19)
O2^vi—Na2—B3^vi	28.69 (10)	O6—B3—Na1	122.0 (3)
O6^iii—Na2—B3^vi	103.26 (12)	O7—B3—Na1	57.23 (19)
O10^ii—Na2—B3^vi	119.39 (12)	Na2^xiv—B3—Na1	178.11 (17)
O6^vi—Na2—B3^vi	29.45 (10)	Na2^v—B3—Na1	96.73 (14)
O4^iii—Na2—B3^vi	111.38 (12)	O9—B4—O6	123.5 (4)
O10—Na2—B3^vi	85.69 (12)	O9—B4—O8	119.1 (3)
O8—Na2—B3^vi	94.37 (12)	O6—B4—O8	117.3 (3)
B5—Na2—B3^vi	102.52 (14)	O9—B4—Mg1^xiv	37.62 (17)
O2^vi—Na2—B3^iii	118.64 (12)	O6—B4—Mg1^xiv	86.7 (2)
O6^iii—Na2—B3^iii	28.33 (10)	O8—B4—Mg1^xiv	153.5 (3)
O10^ii—Na2—B3^iii	89.67 (13)	O9—B4—Na1^x	51.42 (19)
O6^vi—Na2—B3^iii	102.61 (12)	O6—B4—Na1^x	141.5 (3)
O4^iii—Na2—B3^iii	28.79 (10)	O8—B4—Na1^x	79.2 (2)
O10—Na2—B3^iii	114.92 (12)	Mg1^xiv—B4—Na1^x	74.69 (11)
O8—Na2—B3^iii	148.49 (12)	O10—B5—O7	122.5 (4)
B5—Na2—B3^iii	124.60 (13)	O10—B5—O8	119.1 (4)
B3^vi—Na2—B3^iii	113.48 (16)	O7—B5—O8	118.3 (3)
O2^vi—Na2—Zn1^ii	58.00 (7)	O10—B5—Na2	69.6 (2)
O6^iii—Na2—Zn1^ii	64.38 (7)	O7—B5—Na2	124.6 (3)
O10^ii—Na2—Zn1^ii	36.50 (7)	O8—B5—Na2	75.5 (2)
O6^vi—Na2—Zn1^ii	113.47 (8)	O10—B5—Na3^x	77.2 (2)
O4^iii—Na2—Zn1^ii	120.82 (8)	O7—B5—Na3^x	58.0 (2)
O10—Na2—Zn1^ii	152.94 (9)	O8—B5—Na3^x	143.1 (3)
O8—Na2—Zn1^ii	105.19 (8)	Na2—B5—Na3^x	139.58 (18)
B5—Na2—Zn1^ii	132.82 (11)	B1—O1—Mg1^xi	111.1 (2)
B3^vi—Na2—Zn1^ii	85.28 (9)	B1—O1—Zn1^xi	111.1 (2)
B3^iii—Na2—Zn1^ii	92.06 (9)	Mg1^xi—O1—Zn1^xi	0.00 (3)
O2^vi—Na2—Mg1^ii	58.00 (7)	B1—O1—Na1^xii	107.6 (2)
O6^iii—Na2—Mg1^ii	64.38 (7)	Mg1^xi—O1—Na1^xii	133.06 (14)
O10^ii—Na2—Mg1^ii	36.50 (7)	Zn1^xi—O1—Na1^xii	133.06 (14)
O6^vi—Na2—Mg1^ii	113.47 (8)	B1—O1—Na3^xiv	116.2 (2)
O4^iii—Na2—Mg1^ii	120.82 (8)	Mg1^xi—O1—Na3^xiv	93.93 (11)
O10—Na2—Mg1^ii	152.94 (9)	Zn1^xi—O1—Na3^xiv	93.93 (11)
O8—Na2—Mg1^ii	105.19 (8)	Na1^xii—O1—Na3^xiv	92.00 (10)
B5—Na2—Mg1^ii	132.82 (11)	B1—O2—B3	124.1 (3)
B3^vi—Na2—Mg1^ii	85.28 (9)	B1—O2—Na2^xiv	115.9 (2)
B3^iii—Na2—Mg1^ii	92.06 (9)	B3—O2—Na2^xiv	100.7 (2)
Zn1^ii—Na2—Mg1^ii	0.000 (19)	B1—O2—Na3^x	102.4 (2)
O5^vii—Na3—O9	115.24 (12)	B3—O2—Na3^x	89.0 (2)
O5^vii—Na3—O7^ii	103.12 (12)	Na2^xiv—O2—Na3^x	123.59 (12)
O9—Na3—O7^ii	105.71 (11)	B1—O3—B2	120.6 (3)
O5^vii—Na3—O1^vi	104.82 (12)	B1—O3—Na1^v	115.3 (2)
O9—Na3—O1^vi	113.76 (11)	B2—O3—Na1^v	95.6 (2)
O7^ii—Na3—O1^vi	113.93 (11)	B1—O3—Na3^xiii	151.6 (2)
O5^vii—Na3—O3^vii	54.07 (9)	B2—O3—Na3^xiii	80.6 (2)
O9—Na3—O3^vii	78.29 (10)	Na1^v—O3—Na3^xiii	77.62 (8)
O7^ii—Na3—O3^vii	154.12 (11)	B2—O4—B3	125.7 (3)
O1^vi—Na3—O3^vii	86.29 (10)	B2—O4—Na1	104.9 (3)
O5^vii—Na3—B5^ii	130.45 (14)	B3—O4—Na1	99.2 (2)
O9—Na3—B5^ii	97.41 (13)	B2—O4—Na2^v	109.9 (3)
O7^ii—Na3—B5^ii	29.12 (11)	B3—O4—Na2^v	91.5 (2)
O1^vi—Na3—B5^ii	93.56 (12)	Na1—O4—Na2^v	127.18 (12)
O3^vii—Na3—B5^ii	175.18 (13)	B2—O5—Mg1^v	114.9 (3)
O5^vii—Na3—O10^ii	138.21 (12)	B2—O5—Zn1^v	114.9 (3)
O9—Na3—O10^ii	104.75 (10)	Mg1^v—O5—Zn1^v	0.00 (3)
O7^ii—Na3—O10^ii	52.34 (9)	B2—O5—Na3^xiii	104.6 (3)
O1^vi—Na3—O10^ii	67.33 (9)	Mg1^v—O5—Na3^xiii	140.35 (15)
O3^vii—Na3—O10^ii	152.54 (10)	Zn1^v—O5—Na3^xiii	140.35 (15)
B5^ii—Na3—O10^ii	26.39 (11)	B4—O6—B3	126.6 (3)
O5^vii—Na3—O2^ii	86.84 (11)	B4—O6—Na2^v	116.6 (2)
O9—Na3—O2^ii	68.39 (9)	B3—O6—Na2^v	101.7 (2)
O7^ii—Na3—O2^ii	52.57 (9)	B4—O6—Na2^xiv	108.7 (2)
O1^vi—Na3—O2^ii	164.65 (10)	B3—O6—Na2^xiv	92.7 (2)
O3^vii—Na3—O2^ii	108.84 (9)	Na2^v—O6—Na2^xiv	106.97 (11)
B5^ii—Na3—O2^ii	71.15 (11)	B5—O7—B3	122.6 (3)
O10^ii—Na3—O2^ii	97.33 (9)	B5—O7—Na3^x	92.9 (2)
O5^vii—Na3—B2^vii	26.00 (12)	B3—O7—Na3^x	108.9 (2)
O9—Na3—B2^vii	94.71 (13)	B5—O7—Na1	123.2 (3)
O7^ii—Na3—B2^vii	126.27 (13)	B3—O7—Na1	94.1 (2)
O1^vi—Na3—B2^vii	101.24 (12)	Na3^x—O7—Na1	116.11 (12)
O3^vii—Na3—B2^vii	28.88 (11)	B4—O8—B5	121.6 (3)
B5^ii—Na3—B2^vii	155.19 (14)	B4—O8—Na2	133.4 (3)
O10^ii—Na3—B2^vii	160.11 (13)	B5—O8—Na2	75.8 (2)
O2^ii—Na3—B2^vii	93.60 (12)	B4—O9—Mg1^xiv	118.1 (2)
O5^vii—Na3—Mg1^ii	113.38 (10)	B4—O9—Zn1^xiv	118.1 (2)
O9—Na3—Mg1^ii	129.07 (9)	Mg1^xiv—O9—Zn1^xiv	0.00 (4)
O7^ii—Na3—Mg1^ii	76.74 (8)	B4—O9—Na3	116.4 (2)
O1^vi—Na3—Mg1^ii	37.22 (6)	Mg1^xiv—O9—Na3	109.23 (12)
O3^vii—Na3—Mg1^ii	121.18 (8)	Zn1^xiv—O9—Na3	109.23 (12)
B5^ii—Na3—Mg1^ii	59.94 (10)	B4—O9—Na1^x	102.8 (2)
O10^ii—Na3—Mg1^ii	36.55 (6)	Mg1^xiv—O9—Na1^x	108.08 (12)
O2^ii—Na3—Mg1^ii	128.91 (8)	Zn1^xiv—O9—Na1^x	108.08 (12)
B2^vii—Na3—Mg1^ii	125.45 (11)	Na3—O9—Na1^x	100.09 (11)
O5^vii—Na3—Zn1^ii	113.38 (10)	B5—O10—Zn1	140.1 (3)
O9—Na3—Zn1^ii	129.07 (9)	B5—O10—Na2^x	122.0 (3)
O7^ii—Na3—Zn1^ii	76.74 (8)	Zn1—O10—Na2^x	96.72 (12)
O1^vi—Na3—Zn1^ii	37.22 (6)	B5—O10—Na2	83.1 (3)
O3^vii—Na3—Zn1^ii	121.18 (8)	Zn1—O10—Na2	99.08 (13)
B5^ii—Na3—Zn1^ii	59.94 (10)	Na2^x—O10—Na2	102.12 (11)
O10^ii—Na3—Zn1^ii	36.55 (6)	B5—O10—Na3^x	76.5 (2)
O2^ii—Na3—Zn1^ii	128.91 (8)	Zn1—O10—Na3^x	82.76 (11)
B2^vii—Na3—Zn1^ii	125.45 (11)	Na2^x—O10—Na3^x	108.41 (13)
Mg1^ii—Na3—Zn1^ii	0.000 (17)	Na2—O10—Na3^x	149.01 (13)
O5^vii—Na3—Na1^viii	66.25 (9)

Symmetry codes: (i) x+1/2, −y+1/2, −z; (ii) x+1/2, y, −z+1/2; (iii) −x+3/2, y+1/2, z; (iv) −x+3/2, −y+1, z−1/2; (v) −x+3/2, y−1/2, z; (vi) −x+1, y+1/2, −z+1/2; (vii) x, −y+1/2, z+1/2; (viii) −x+3/2, −y+1, z+1/2; (ix) −x+1/2, y+1/2, z; (x) x−1/2, y, −z+1/2; (xi) −x+1/2, y−1/2, z; (xii) x−1/2, −y+1/2, −z; (xiii) x, −y+1/2, z−1/2; (xiv) −x+1, y−1/2, −z+1/2.