Redetermination of Mg2B25 based on single-crystal X-ray data

Bindi, L.; Figini Albisetti, A.; Giunchi, G.; Malpezzi, L.; Masciocchi, N.

doi:10.1107/S1600536812023768

inorganic compounds

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ISSN: 2056-9890

Volume 68| Part 6| June 2012| Page i50

doi:10.1107/S1600536812023768

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Redetermination of Mg₂B₂₅ based on single-crystal X-ray data

Luca Bindi,^a ^* Alessandro Figini Albisetti,^b Giovanni Giunchi,^b Luciana Malpezzi ^c and Norberto Masciocchi ^d

^aDipartimento di Scienze della Terra, University of Firenze, Via La Pira 4, I-50121 Firenze, Italy, ^bEdison Spa R&D, Foro Buonaparte 31, I-20121 Milano, Italy, ^cDipartimento di Chimica, Materiali, Ingegneria Chimica "G. Natta", Politecnico di Milano, Via Mancinelli 7, I-20131 Milano, Italy, and ^dDipartimento di Scienze Chimiche e Ambientali, University of Insubria, Via Valleggio 11, I-22100 Como, Italy
^*Correspondence e-mail: luca.bindi@unifi.it

(Received 14 May 2012; accepted 24 May 2012; online 31 May 2012)

The crystal structure of Mg₂B₂₅, dimagnesium pentaeicosaboride, was reexamined from single-crystal X-ray diffraction data. The structural model previously reported on the basis of powder X-ray diffraction data [Giunchi et al. (2006 ). Solid State Sci. 8, 1202–1208] has been confirmed, although a much higher precision refinement was achieved, leading to much smaller standard uncertainties on bond lengths and refined occupancy factors. Moreover, all atoms were refined with anisotropic displacement parameters. Mg₂B₂₅ crystallizes in the β-boron structure type and is isostructural with other rhombohedral compounds of the boron-rich metal boride family. Magnesium atoms are found in interstitial sites on special positions (two with site symmetry .m, one with .2 and one with 3m), all with partial occupancies.

Related literature

For background to this class of compounds, see: Nagamatsu et al. (2001 ); Giunchi (2003 ), Giunchi et al. (2006). For related phases in the Mg–B system, see: Adasch et al. (2006a ,b ); Brutti et al. (2002 ); Guette et al. (1981 ); Jones & Marsh (1954 ); Naslain et al. (1973 ); Russell et al. (1953 ); Pediaditakis et al. (2010 ).

Experimental

Crystal data

Mg₂B₂₅
M_r = 318.87
Hexagonal, $[R \overline 3m ]$
a = 11.0398 (5) Å
c = 24.195 (1) Å
V = 2553.75 (19) Å³
Z = 12
Mo Kα radiation
μ = 0.23 mm⁻¹
T = 298 K
0.08 × 0.07 × 0.07 mm

Data collection

Oxford Xcalibur 3 CCD diffractometer
Absorption correction: gaussian (ABSPACK; Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.982, T_max = 0.984
4794 measured reflections
799 independent reflections
724 reflections with I > 2σ(I)
R_int = 0.045

Refinement

R[F² > 2σ(F²)] = 0.021
wR(F²) = 0.049
S = 1.13
799 reflections
122 parameters
Δρ_max = 0.14 e Å⁻³
Δρ_min = −0.31 e Å⁻³

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]$ ); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536812023768/wm2631sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812023768/wm2631Isup2.hkl

checkCIF report

Comment top

The interest for a detailed description of the phase diagram of the Mg–B system has greatly increased with the recent discovery of the superconductivity of the MgB₂ species (Nagamatsu et al., 2001). Up to now the only well-characterized crystalline phases of this binary system are the MgB₂ (Russell et al., 1953; Jones & Marsh, 1954), MgB₄ (Naslain et al., 1973), MgB₇ (Guette et al., 1981), MgB₁₂ (Adasch et al., 2006a), MgB_17.4 (Adasch et al., 2006b), MgB₂₀ (Brutti et al., 2002) and Mg₅B₄₄ (Pediaditakis et al., 2010) species. Giunchi et al. (2006) reported on the crystal structure determination, by laboratory X-ray powder diffraction (XRPD) methods, of the Mg₂B₂₅ species. This compound was isolated during a side study of the research aimed at the synthesis of MgB₂ by infiltration of crystalline boron with liquid Mg (Giunchi, 2003) (process identified by Mg-RLI: Mg-Reactive Liquid Infiltration) in reaction conditions very different from the previous R3m members of the same family, i.e. with temperatures lower than 1033 K and reaction times of the order of one hour, in contrast to 1873 K and 40 h reported by Adasch et al. (2006a,b) and 1423 K, unreported reaction time, by Brutti et al. (2002).

With respect to the other published structures of the same rhombohedral family viz, MgB_17.4 (Adasch et al., 2006b) and MgB₂₀ (Brutti et al., 2002), Mg₂B₂₅ exhibits very small differences in the unit-cell parameters, but significant differences in the occupation of the interstitial magnesium sites, also with the identification of a new structural site never observed in the related metal borides. This site was labelled as Mg(N) by Giunchi et al. (2006). However, since the presence of partially occupied structural sites in the model obtained from XRPD data, some scepticism persisted in the literature about the true nature of the structure of Mg₂B₂₅. Here we present a re-examination of the crystal structure of Mg₂B₂₅ based on single-crystal X-ray diffraction data. The structural model previously reported by Giunchi et al. (2006) has been confirmed, although a much higher precision refinement was achieved, accompanied with the refinement of all atoms with anisotropic displacement parameters.

Mg₂B₂₅ adopts the β-boron structure and crystallizes isostructurally with other rhombohedral compounds of the boron-rich metal boride family (Fig. 1). Magnesium atoms occupy interstitial sites with partial occupancies that can be interpreted with the aid of the analysis of impossible interatomic Mg···Mg contacts.

Related literature top

For background to this class of compounds, see: Nagamatsu et al. (2001); Giunchi (2003), Giunchi et al. (2006). For related phases in the Mg–B system, see: Adasch et al. (2006a,b); Brutti et al. (2002); Guette et al. (1981); Jones & Marsh (1954); Naslain et al. (1973); Russell et al. (1953). Pediaditakis et al. (2010).

Experimental top

A small crystal fragment was cut out from a polished thin section of a MgB₂ bulk sample. This sample was obtained by the Mg-RLI process (Giunchi, 2003) under particular mild conditions (low temperature and short heat treatment) in order to have a consistent Mg₂B₂₅ fraction in the final sample. Thus, this small crystal does not have to be considered as a representative product of the Mg-RLI process, but just a sample synthesized ad hoc. The extracted crystal fragment was used for the X-ray single-crystal diffraction study.

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis CCD (Oxford Diffraction, 2006); data reduction: CrysAlis RED (Oxford Diffraction, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

Fig. 1. The crystal structure of Mg₂B₂₅ viewed down [010]. Anisotropic displacement parameters are drawn at the 90% probability level. Mg atoms are black, B atoms red.

dimagnesium pentaeicosaboride top

Crystal data top

Mg₂B₂₅	D_x = 2.488 Mg m⁻³
M_r = 318.87	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, R3m	Cell parameters from 562 reflections
Hall symbol: -R 3 2"	θ = 10.6–26.2°
a = 11.0398 (5) Å	µ = 0.23 mm⁻¹
c = 24.195 (1) Å	T = 298 K
V = 2553.75 (19) Å³	Block, black
Z = 12	0.08 × 0.07 × 0.07 mm
F(000) = 1788

Data collection top

Oxford Xcalibur 3 CCD diffractometer	799 independent reflections
Radiation source: fine-focus sealed tube	724 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.045
ω scans	θ_max = 28.0°, θ_min = 2.3°
Absorption correction: gaussian (ABSPACK; Oxford Diffraction, 2006)	h = −14→14
T_min = 0.982, T_max = 0.984	k = −14→14
4794 measured reflections	l = −31→31

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F² > 2σ(F²)] = 0.021	Secondary atom site location: difference Fourier map
wR(F²) = 0.049	w = 1/[σ²(F_o²) + (0.0342P)²] where P = (F_o² + 2F_c²)/3
S = 1.13	(Δ/σ)_max = 0.001
799 reflections	Δρ_max = 0.14 e Å⁻³
122 parameters	Δρ_min = −0.31 e Å⁻³

Crystal data top

Mg₂B₂₅	Z = 12
M_r = 318.87	Mo Kα radiation
Hexagonal, R3m	µ = 0.23 mm⁻¹
a = 11.0398 (5) Å	T = 298 K
c = 24.195 (1) Å	0.08 × 0.07 × 0.07 mm
V = 2553.75 (19) Å³

Data collection top

Oxford Xcalibur 3 CCD diffractometer	799 independent reflections
Absorption correction: gaussian (ABSPACK; Oxford Diffraction, 2006)	724 reflections with I > 2σ(I)
T_min = 0.982, T_max = 0.984	R_int = 0.045
4794 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.021	122 parameters
wR(F²) = 0.049	0 restraints
S = 1.13	Δρ_max = 0.14 e Å⁻³
799 reflections	Δρ_min = −0.31 e Å⁻³

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
B1	0.17051 (6)	0.16425 (6)	0.17121 (2)	0.01393 (14)
B2	0.31095 (6)	0.29537 (6)	0.13087 (2)	0.01500 (14)
B3	0.25656 (6)	0.21074 (6)	0.41962 (2)	0.01482 (14)
B4	0.24302 (14)	0.2507 (2)	0.34557 (4)	0.0146 (4)	0.836 (7)
B5	0.05447 (4)	0.10893 (8)	0.94321 (3)	0.01410 (18)
B6	0.08455 (4)	0.16910 (8)	0.01360 (3)	0.01402 (18)
B7	0.10819 (4)	0.21638 (9)	0.88662 (3)	0.01461 (18)
B8	0.17148 (4)	0.34295 (8)	0.02961 (3)	0.01510 (18)
B9	0.13101 (4)	0.26201 (9)	0.76761 (3)	0.01487 (17)
B10	0.10643 (4)	0.21286 (8)	0.70081 (3)	0.01434 (18)
B11	0.05625 (4)	0.11249 (9)	0.32568 (3)	0.01443 (17)
B12	0.08963 (4)	0.17926 (8)	0.40273 (3)	0.01459 (18)
B13	0.05471 (9)	0.10941 (17)	0.55309 (6)	0.0136 (5)	0.493 (4)
B14	0.0000	0.0000	0.38677 (6)	0.0148 (3)
B15	0.0000	0.0000	0.5000	0.0148 (4)
MgN	0.12339 (3)	0.24679 (6)	0.25266 (2)	0.01846 (19)	0.5000 (14)
MgD	0.20089 (3)	0.40178 (6)	0.17677 (2)	0.0185 (2)	0.5019 (14)
MgE	0.0000	0.0000	0.23530 (4)	0.0190 (3)	0.501 (2)
MgF	0.37439 (15)	0.0000	0.0000	0.0182 (13)	0.166 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
B1	0.0141 (3)	0.0141 (3)	0.0135 (2)	0.0071 (2)	−0.00003 (19)	0.00011 (19)
B2	0.0150 (3)	0.0153 (3)	0.0149 (2)	0.0077 (2)	0.00008 (19)	0.00003 (18)
B3	0.0151 (3)	0.0146 (3)	0.0147 (3)	0.0074 (2)	0.0002 (2)	0.00001 (19)
B4	0.0147 (5)	0.0152 (9)	0.0140 (4)	0.0075 (6)	−0.0001 (3)	0.0001 (4)
B5	0.0141 (3)	0.0143 (4)	0.0140 (4)	0.00715 (19)	0.00002 (14)	0.0000 (3)
B6	0.0140 (3)	0.0147 (4)	0.0136 (4)	0.00735 (19)	0.00002 (12)	0.0000 (2)
B7	0.0149 (3)	0.0150 (4)	0.0140 (4)	0.0075 (2)	0.00010 (14)	0.0002 (3)
B8	0.0153 (3)	0.0150 (4)	0.0149 (4)	0.0075 (2)	−0.00003 (13)	−0.0001 (3)
B9	0.0151 (3)	0.0151 (4)	0.0144 (3)	0.00757 (19)	−0.00008 (13)	−0.0002 (3)
B10	0.0147 (3)	0.0146 (4)	0.0137 (4)	0.0073 (2)	0.00022 (14)	0.0004 (3)
B11	0.0144 (3)	0.0144 (4)	0.0144 (3)	0.00722 (18)	0.00000 (14)	0.0000 (3)
B12	0.0145 (3)	0.0147 (4)	0.0147 (4)	0.00735 (19)	0.00012 (14)	0.0002 (3)
B13	0.0138 (7)	0.0139 (8)	0.0133 (7)	0.0069 (4)	0.0004 (3)	0.0008 (5)
B14	0.0146 (4)	0.0146 (4)	0.0152 (6)	0.0073 (2)	0.000	0.000
B15	0.0149 (6)	0.0149 (6)	0.0146 (8)	0.0075 (3)	0.000	0.000
MgN	0.0187 (2)	0.0185 (3)	0.0181 (3)	0.00925 (15)	0.00013 (9)	0.00025 (19)
MgD	0.0185 (2)	0.0192 (3)	0.0180 (3)	0.00961 (16)	0.00006 (9)	0.00011 (18)
MgE	0.0190 (4)	0.0190 (4)	0.0188 (5)	0.00951 (19)	0.000	0.000
MgF	0.0187 (11)	0.017 (3)	0.0183 (9)	0.0086 (16)	0.0005 (7)	0.0010 (14)

Geometric parameters (Å, º) top

B1—B7ⁱ	1.7061 (9)	B11—B4ⁱⁱⁱ	1.9145 (16)
B1—B1ⁱⁱ	1.7441 (12)	B11—B12	1.9703 (11)
B1—B2	1.7909 (8)	B11—MgN	2.1840 (9)
B1—B9ⁱ	1.9279 (10)	B11—MgE	2.4370 (12)
B1—B1ⁱⁱⁱ	1.9515 (12)	B11—MgF^ix	2.5328 (11)
B1—B2^iv	2.0394 (8)	B11—MgF^xii	2.5329 (11)
B1—MgN	2.3363 (7)	B12—B3ⁱⁱⁱ	1.7446 (6)
B1—MgE	2.4130 (8)	B12—B14	1.7568 (8)
B1—MgD	2.4754 (8)	B12—B13ⁱ	1.8389 (11)
B2—B3^v	1.7785 (8)	B12—B13^xiii	1.8389 (11)
B2—B2^iv	1.7842 (11)	B12—B4ⁱⁱⁱ	2.0165 (16)
B2—B7ⁱ	1.8389 (8)	B12—MgD^x	2.2623 (9)
B2—B9^vi	1.9266 (8)	B12—MgN^x	2.3166 (9)
B2—B1^iv	2.0394 (8)	B12—MgF^ix	2.6289 (11)
B2—MgD	2.3488 (7)	B12—MgF^xii	2.6290 (11)
B2—MgD^vii	2.3988 (6)	B13—B15	1.6566 (16)
B2—MgN^vii	2.5803 (6)	B13—B14^xxv	1.792 (2)
B3—B12	1.7446 (6)	B13—B3^xx	1.8010 (15)
B3—B8^viii	1.7667 (9)	B13—B3^xiii	1.8010 (15)
B3—B2^viii	1.7785 (8)	B13—B13^xv	1.812 (3)
B3—B13ⁱ	1.8010 (15)	B13—B13^xvi	1.812 (3)
B3—B3ⁱⁱ	1.8205 (12)	B13—B12^xiii	1.8389 (11)
B3—B4	1.8690 (14)	B13—B12ⁱ	1.8389 (11)
B3—MgD^viii	2.3723 (7)	B13—MgD^x	2.1326 (17)
B3—MgF^ix	2.4108 (6)	B13—MgD^viii	2.4373 (9)
B3—MgD^x	2.4382 (7)	B13—MgD^xxvii	2.4374 (9)
B3—MgN^x	2.6082 (7)	B14—B12^xvi	1.7568 (8)
B4—MgF^ix	0.848 (2)	B14—B12^xv	1.7568 (8)
B4—B8^viii	1.6753 (12)	B14—B13ⁱ	1.792 (2)
B4—B4^xi	1.687 (4)	B14—B13^xiii	1.792 (2)
B4—B10ⁱ	1.8378 (12)	B14—B13^xxv	1.792 (2)
B4—B11	1.9145 (16)	B14—B11^xv	1.8279 (15)
B4—B12	2.0165 (16)	B14—B11^xvi	1.8279 (15)
B4—MgN	2.5964 (9)	B15—B13^xxv	1.6566 (16)
B4—MgN^x	2.6540 (10)	B15—B13ⁱ	1.6566 (16)
B4—MgF^xii	2.8150 (16)	B15—B13^xiii	1.6566 (16)
B5—B7	1.7117 (11)	B15—B13^xvi	1.6566 (16)
B5—B6ⁱ	1.7626 (8)	B15—B13^xv	1.6566 (16)
B5—B6^xiii	1.7626 (8)	B15—MgD^xxviii	2.5443 (6)
B5—B6^xiv	1.7976 (11)	B15—MgD^viii	2.5443 (6)
B5—B5^xv	1.8039 (14)	B15—MgD^x	2.5443 (6)
B5—B5^xvi	1.8039 (14)	B15—MgD^xxix	2.5443 (6)
B6—B8	1.7067 (12)	B15—MgD^xxx	2.5444 (6)
B6—B6^xvii	1.7455 (9)	B15—MgD^xxvii	2.5444 (6)
B6—B6^xviii	1.7455 (9)	MgN—B12^x	2.3166 (9)
B6—B5^xiii	1.7626 (8)	MgN—B1ⁱⁱⁱ	2.3363 (7)
B6—B5ⁱ	1.7626 (8)	MgN—MgD	2.3596 (7)
B6—B5^xix	1.7976 (11)	MgN—MgE	2.3966 (6)
B6—MgF^xv	2.8691 (16)	MgN—B9ⁱ	2.4844 (6)
B6—MgF^xvii	2.8691 (16)	MgN—B9^xiii	2.4844 (6)
B7—B1^xiii	1.7061 (9)	MgN—B10ⁱ	2.4848 (6)
B7—B1^xx	1.7061 (9)	MgN—B10^xiii	2.4848 (6)
B7—B9^xxi	1.8250 (12)	MgN—MgF^ix	2.5333 (10)
B7—B2^xx	1.8389 (8)	MgN—MgF^xii	2.5333 (10)
B7—B2^xiii	1.8389 (8)	MgD—B13^x	2.1326 (17)
B8—B4^xxii	1.6753 (12)	MgD—B12^x	2.2623 (9)
B8—B4^v	1.6754 (12)	MgD—B2ⁱⁱⁱ	2.3488 (7)
B8—B3^xxii	1.7667 (9)	MgD—B3^xxii	2.3723 (7)
B8—B3^v	1.7668 (9)	MgD—B3^v	2.3724 (7)
B8—B10^x	1.8715 (11)	MgD—B2^iv	2.3987 (6)
B8—MgF^xvii	2.2078 (10)	MgD—B2^xxxi	2.3988 (6)
B8—MgF^xv	2.2078 (10)	MgD—B13^xxxii	2.4373 (9)
B9—B10	1.6831 (11)	MgD—B13^v	2.4373 (9)
B9—B7^xxi	1.8250 (12)	MgD—B3^x	2.4382 (7)
B9—B2^xxiii	1.9266 (8)	MgE—MgN^xv	2.3966 (6)
B9—B2^xxiv	1.9267 (8)	MgE—MgN^xvi	2.3966 (6)
B9—B1^xiii	1.9279 (10)	MgE—B1^xxxiii	2.4130 (8)
B9—B1^xx	1.9279 (10)	MgE—B1^xvi	2.4130 (8)
B9—MgN^xiii	2.4844 (6)	MgE—B1^xv	2.4130 (8)
B9—MgNⁱ	2.4844 (6)	MgE—B1ⁱⁱ	2.4130 (8)
B9—MgE^xxv	2.5060 (8)	MgE—B1ⁱⁱⁱ	2.4130 (8)
B10—B4^xx	1.8378 (12)	MgE—B11^xvi	2.4370 (12)
B10—B4^xiii	1.8378 (12)	MgE—B11^xv	2.4370 (12)
B10—B8^x	1.8715 (11)	MgF—B4^ix	0.848 (2)
B10—B11^xiii	1.8763 (7)	MgF—B4^xxxiv	0.848 (2)
B10—B11ⁱ	1.8763 (7)	MgF—B8^xviii	2.2078 (10)
B10—MgF^xxiv	2.3515 (5)	MgF—B8^xvi	2.2078 (10)
B10—MgF^xxvi	2.3516 (5)	MgF—B10^xxx	2.3516 (5)
B10—MgN^xiii	2.4848 (6)	MgF—B10^vi	2.3516 (5)
B10—MgNⁱ	2.4848 (6)	MgF—B3^xxxiv	2.4108 (6)
B10—MgE^xxv	2.5556 (10)	MgF—B3^ix	2.4108 (6)
B11—B14	1.8279 (15)	MgF—B11^ix	2.5328 (11)
B11—B11^xv	1.8629 (14)	MgF—B11^xxxv	2.5329 (11)
B11—B11^xvi	1.8629 (14)	MgF—MgN^ix	2.5333 (10)
B11—B10ⁱ	1.8763 (7)	MgF—MgN^xxxv	2.5333 (10)
B11—B10^xiii	1.8763 (7)

B7ⁱ—B1—B1ⁱⁱ	59.26 (2)	B11—B12—MgN^x	115.67 (4)
B7ⁱ—B1—B2	63.40 (4)	B4—B12—MgN^x	75.18 (5)
B1ⁱⁱ—B1—B2	112.05 (3)	B4ⁱⁱⁱ—B12—MgN^x	75.19 (5)
B7ⁱ—B1—B9ⁱ	106.37 (4)	MgD^x—B12—MgN^x	62.02 (3)
B1ⁱⁱ—B1—B9ⁱ	63.11 (2)	B3—B12—MgF^ix	63.15 (4)
B2—B1—B9ⁱ	104.36 (4)	B3ⁱⁱⁱ—B12—MgF^ix	123.89 (5)
B7ⁱ—B1—B1ⁱⁱⁱ	118.57 (3)	B14—B12—MgF^ix	113.97 (5)
B1ⁱⁱ—B1—B1ⁱⁱⁱ	120.0	B13ⁱ—B12—MgF^ix	118.31 (6)
B2—B1—B1ⁱⁱⁱ	117.49 (3)	B13^xiii—B12—MgF^ix	173.69 (6)
B9ⁱ—B1—B1ⁱⁱⁱ	128.25 (3)	B11—B12—MgF^ix	65.00 (3)
B7ⁱ—B1—B2^iv	104.44 (4)	B4—B12—MgF^ix	14.64 (6)
B1ⁱⁱ—B1—B2^iv	109.25 (2)	B4ⁱⁱⁱ—B12—MgF^ix	73.26 (5)
B2—B1—B2^iv	55.06 (3)	MgD^x—B12—MgF^ix	113.12 (3)
B9ⁱ—B1—B2^iv	58.03 (3)	MgN^x—B12—MgF^ix	61.23 (2)
B1ⁱⁱⁱ—B1—B2^iv	125.95 (2)	B3—B12—MgF^xii	123.89 (5)
B7ⁱ—B1—MgN	176.04 (4)	B3ⁱⁱⁱ—B12—MgF^xii	63.15 (4)
B1ⁱⁱ—B1—MgN	120.089 (18)	B14—B12—MgF^xii	113.97 (5)
B2—B1—MgN	114.58 (3)	B13ⁱ—B12—MgF^xii	173.69 (6)
B9ⁱ—B1—MgN	70.53 (3)	B13^xiii—B12—MgF^xii	118.31 (6)
B1ⁱⁱⁱ—B1—MgN	65.314 (16)	B11—B12—MgF^xii	65.00 (3)
B2^iv—B1—MgN	71.90 (3)	B4—B12—MgF^xii	73.26 (5)
B7ⁱ—B1—MgE	121.06 (4)	B4ⁱⁱⁱ—B12—MgF^xii	14.64 (6)
B1ⁱⁱ—B1—MgE	68.814 (15)	MgD^x—B12—MgF^xii	113.12 (3)
B2—B1—MgE	172.93 (4)	MgN^x—B12—MgF^xii	61.24 (2)
B9ⁱ—B1—MgE	69.50 (3)	MgF^ix—B12—MgF^xii	63.67 (6)
B1ⁱⁱⁱ—B1—MgE	66.147 (15)	B15—B13—B14^xxv	105.13 (9)
B2^iv—B1—MgE	117.87 (4)	B15—B13—B3^xx	141.03 (6)
MgN—B1—MgE	60.59 (2)	B14^xxv—B13—B3^xx	99.11 (7)
B7ⁱ—B1—MgD	121.42 (3)	B15—B13—B3^xiii	141.03 (6)
B1ⁱⁱ—B1—MgD	172.571 (15)	B14^xxv—B13—B3^xiii	99.11 (7)
B2—B1—MgD	64.49 (3)	B3^xx—B13—B3^xiii	60.72 (7)
B9ⁱ—B1—MgD	110.71 (3)	B15—B13—B13^xv	56.85 (4)
B1ⁱⁱⁱ—B1—MgD	66.785 (15)	B14^xxv—B13—B13^xv	59.63 (5)
B2^iv—B1—MgD	63.32 (2)	B3^xx—B13—B13^xv	158.31 (5)
MgN—B1—MgD	58.65 (2)	B3^xiii—B13—B13^xv	115.07 (4)
MgE—B1—MgD	113.75 (3)	B15—B13—B13^xvi	56.85 (4)
B3^v—B2—B2^iv	128.25 (3)	B14^xxv—B13—B13^xvi	59.63 (5)
B3^v—B2—B1	122.06 (4)	B3^xx—B13—B13^xvi	115.07 (4)
B2^iv—B2—B1	69.56 (4)	B3^xiii—B13—B13^xvi	158.31 (5)
B3^v—B2—B7ⁱ	117.24 (4)	B13^xv—B13—B13^xvi	60.0
B2^iv—B2—B7ⁱ	109.96 (3)	B15—B13—B12^xiii	112.69 (6)
B1—B2—B7ⁱ	56.05 (4)	B14^xxv—B13—B12^xiii	57.86 (5)
B3^v—B2—B9^vi	117.38 (4)	B3^xx—B13—B12^xiii	105.97 (8)
B2^iv—B2—B9^vi	104.67 (4)	B3^xiii—B13—B12^xiii	57.27 (4)
B1—B2—B9^vi	104.63 (4)	B13^xv—B13—B12^xiii	60.49 (5)
B7ⁱ—B2—B9^vi	57.92 (4)	B13^xvi—B13—B12^xiii	108.33 (5)
B3^v—B2—B1^iv	126.37 (4)	B15—B13—B12ⁱ	112.69 (6)
B2^iv—B2—B1^iv	55.37 (3)	B14^xxv—B13—B12ⁱ	57.86 (5)
B1—B2—B1^iv	108.97 (4)	B3^xx—B13—B12ⁱ	57.27 (4)
B7ⁱ—B2—B1^iv	103.61 (4)	B3^xiii—B13—B12ⁱ	105.97 (8)
B9^vi—B2—B1^iv	58.09 (3)	B13^xv—B13—B12ⁱ	108.33 (5)
B3^v—B2—MgD	68.57 (3)	B13^xvi—B13—B12ⁱ	60.49 (5)
B2^iv—B2—MgD	69.42 (3)	B12^xiii—B13—B12ⁱ	107.64 (9)
B1—B2—MgD	72.02 (3)	B15—B13—MgD^x	83.34 (7)
B7ⁱ—B2—MgD	121.72 (4)	B14^xxv—B13—MgD^x	171.52 (10)
B9^vi—B2—MgD	173.85 (4)	B3^xx—B13—MgD^x	73.64 (6)
B1^iv—B2—MgD	117.63 (3)	B3^xiii—B13—MgD^x	73.64 (6)
B3^v—B2—MgD^vii	69.62 (3)	B13^xv—B13—MgD^x	127.13 (4)
B2^iv—B2—MgD^vii	66.45 (3)	B13^xvi—B13—MgD^x	127.13 (4)
B1—B2—MgD^vii	126.89 (3)	B12^xiii—B13—MgD^x	119.24 (6)
B7ⁱ—B2—MgD^vii	170.76 (4)	B12ⁱ—B13—MgD^x	119.24 (6)
B9^vi—B2—MgD^vii	113.96 (4)	B15—B13—MgD^viii	74.11 (4)
B1^iv—B2—MgD^vii	67.24 (3)	B14^xxv—B13—MgD^viii	113.53 (4)
MgD—B2—MgD^vii	65.80 (3)	B3^xx—B13—MgD^viii	68.35 (3)
B3^v—B2—MgN^vii	70.80 (3)	B3^xiii—B13—MgD^viii	122.73 (7)
B2^iv—B2—MgN^vii	104.50 (4)	B13^xv—B13—MgD^viii	121.88 (4)
B1—B2—MgN^vii	167.03 (4)	B13^xvi—B13—MgD^viii	68.18 (4)
B7ⁱ—B2—MgN^vii	118.51 (4)	B12^xiii—B13—MgD^viii	169.64 (8)
B9^vi—B2—MgN^vii	65.03 (3)	B12ⁱ—B13—MgD^viii	62.03 (3)
B1^iv—B2—MgN^vii	59.39 (2)	MgD^x—B13—MgD^viii	68.35 (4)
MgD—B2—MgN^vii	117.48 (3)	B15—B13—MgD^xxvii	74.11 (4)
MgD^vii—B2—MgN^vii	56.43 (2)	B14^xxv—B13—MgD^xxvii	113.53 (4)
B12—B3—B8^viii	108.67 (5)	B3^xx—B13—MgD^xxvii	122.73 (7)
B12—B3—B2^viii	122.77 (5)	B3^xiii—B13—MgD^xxvii	68.35 (3)
B8^viii—B3—B2^viii	120.34 (5)	B13^xv—B13—MgD^xxvii	68.18 (4)
B12—B3—B13ⁱ	62.46 (5)	B13^xvi—B13—MgD^xxvii	121.88 (4)
B8^viii—B3—B13ⁱ	107.94 (5)	B12^xiii—B13—MgD^xxvii	62.03 (3)
B2^viii—B3—B13ⁱ	120.86 (6)	B12ⁱ—B13—MgD^xxvii	169.63 (8)
B12—B3—B3ⁱⁱ	109.21 (3)	MgD^x—B13—MgD^xxvii	68.35 (4)
B8^viii—B3—B3ⁱⁱ	58.99 (2)	MgD^viii—B13—MgD^xxvii	128.28 (7)
B2^viii—B3—B3ⁱⁱ	120.11 (3)	B12^xvi—B14—B12	115.31 (4)
B13ⁱ—B3—B3ⁱⁱ	59.64 (3)	B12^xvi—B14—B12^xv	115.31 (4)
B12—B3—B4	67.74 (5)	B12—B14—B12^xv	115.31 (4)
B8^viii—B3—B4	54.79 (3)	B12^xvi—B14—B13ⁱ	62.41 (4)
B2^viii—B3—B4	119.05 (7)	B12—B14—B13ⁱ	62.41 (4)
B13ⁱ—B3—B4	115.90 (8)	B12^xv—B14—B13ⁱ	113.02 (9)
B3ⁱⁱ—B3—B4	106.03 (5)	B12^xvi—B14—B13^xiii	113.02 (9)
B12—B3—MgD^viii	111.91 (4)	B12—B14—B13^xiii	62.41 (4)
B8^viii—B3—MgD^viii	120.43 (3)	B12^xv—B14—B13^xiii	62.41 (4)
B2^viii—B3—MgD^viii	67.17 (3)	B13ⁱ—B14—B13^xiii	60.73 (9)
B13ⁱ—B3—MgD^viii	59.60 (5)	B12^xvi—B14—B13^xxv	62.41 (4)
B3ⁱⁱ—B3—MgD^viii	67.438 (14)	B12—B14—B13^xxv	113.02 (9)
B4—B3—MgD^viii	173.19 (6)	B12^xv—B14—B13^xxv	62.41 (4)
B12—B3—MgF^ix	76.64 (5)	B13ⁱ—B14—B13^xxv	60.73 (9)
B8^viii—B3—MgF^ix	61.54 (3)	B13^xiii—B14—B13^xxv	60.73 (9)
B2^viii—B3—MgF^ix	101.38 (3)	B12^xvi—B14—B11^xv	117.69 (5)
B13ⁱ—B3—MgF^ix	132.10 (6)	B12—B14—B11^xv	117.69 (5)
B3ⁱⁱ—B3—MgF^ix	118.66 (2)	B12^xv—B14—B11^xv	66.65 (4)
B4—B3—MgF^ix	17.68 (6)	B13ⁱ—B14—B11^xv	179.67 (7)
MgD^viii—B3—MgF^ix	168.08 (4)	B13^xiii—B14—B11^xv	119.00 (5)
B12—B3—MgD^x	62.94 (3)	B13^xxv—B14—B11^xv	119.00 (5)
B8^viii—B3—MgD^x	171.58 (4)	B12^xvi—B14—B11^xvi	66.65 (4)
B2^viii—B3—MgD^x	67.25 (3)	B12—B14—B11^xvi	117.69 (5)
B13ⁱ—B3—MgD^x	68.29 (4)	B12^xv—B14—B11^xvi	117.69 (5)
B3ⁱⁱ—B3—MgD^x	121.747 (19)	B13ⁱ—B14—B11^xvi	119.00 (5)
B4—B3—MgD^x	119.30 (4)	B13^xiii—B14—B11^xvi	179.67 (8)
MgD^viii—B3—MgD^x	64.83 (2)	B13^xxv—B14—B11^xvi	119.00 (5)
MgF^ix—B3—MgD^x	114.86 (4)	B11^xv—B14—B11^xvi	61.27 (6)
B12—B3—MgN^x	60.51 (3)	B12^xvi—B14—B11	117.69 (5)
B8^viii—B3—MgN^x	121.91 (3)	B12—B14—B11	66.65 (4)
B2^viii—B3—MgN^x	69.11 (3)	B12^xv—B14—B11	117.69 (5)
B13ⁱ—B3—MgN^x	112.51 (4)	B13ⁱ—B14—B11	119.00 (5)
B3ⁱⁱ—B3—MgN^x	169.708 (15)	B13^xiii—B14—B11	119.00 (5)
B4—B3—MgN^x	70.52 (4)	B13^xxv—B14—B11	179.67 (8)
MgD^viii—B3—MgN^x	115.55 (2)	B11^xv—B14—B11	61.27 (6)
MgF^ix—B3—MgN^x	60.47 (3)	B11^xvi—B14—B11	61.27 (6)
MgD^x—B3—MgN^x	55.630 (19)	B13—B15—B13^xxv	180.0
MgF^ix—B4—B8^viii	118.33 (13)	B13—B15—B13ⁱ	113.70 (9)
MgF^ix—B4—B4^xi	5.94 (12)	B13^xxv—B15—B13ⁱ	66.30 (9)
B8^viii—B4—B4^xi	124.26 (7)	B13—B15—B13^xiii	113.70 (9)
MgF^ix—B4—B10ⁱ	117.38 (9)	B13^xxv—B15—B13^xiii	66.30 (9)
B8^viii—B4—B10ⁱ	64.19 (5)	B13ⁱ—B15—B13^xiii	66.30 (9)
B4^xi—B4—B10ⁱ	119.25 (8)	B13—B15—B13^xvi	66.30 (9)
MgF^ix—B4—B3	120.31 (8)	B13^xxv—B15—B13^xvi	113.70 (9)
B8^viii—B4—B3	59.50 (5)	B13ⁱ—B15—B13^xvi	113.70 (9)
B4^xi—B4—B3	121.87 (8)	B13^xiii—B15—B13^xvi	180.00 (7)
B10ⁱ—B4—B3	112.45 (10)	B13—B15—B13^xv	66.30 (9)
MgF^ix—B4—B11	128.71 (13)	B13^xxv—B15—B13^xv	113.70 (9)
B8^viii—B4—B11	105.81 (11)	B13ⁱ—B15—B13^xv	180.0
B4^xi—B4—B11	123.93 (7)	B13^xiii—B15—B13^xv	113.70 (9)
B10ⁱ—B4—B11	59.96 (5)	B13^xvi—B15—B13^xv	66.30 (9)
B3—B4—B11	103.54 (10)	B13—B15—MgD^xxviii	112.88 (2)
MgF^ix—B4—B12	128.43 (11)	B13^xxv—B15—MgD^xxviii	67.12 (2)
B8^viii—B4—B12	100.79 (10)	B13ⁱ—B15—MgD^xxviii	123.64 (6)
B4^xi—B4—B12	123.92 (6)	B13^xiii—B15—MgD^xxviii	67.12 (2)
B10ⁱ—B4—B12	109.08 (10)	B13^xvi—B15—MgD^xxviii	112.88 (2)
B3—B4—B12	53.19 (5)	B13^xv—B15—MgD^xxviii	56.36 (6)
B11—B4—B12	60.10 (6)	B13—B15—MgD^viii	67.12 (2)
MgF^ix—B4—MgN	76.30 (9)	B13^xxv—B15—MgD^viii	112.88 (2)
B8^viii—B4—MgN	128.49 (5)	B13ⁱ—B15—MgD^viii	56.36 (6)
B4^xi—B4—MgN	73.12 (6)	B13^xiii—B15—MgD^viii	112.88 (2)
B10ⁱ—B4—MgN	65.58 (3)	B13^xvi—B15—MgD^viii	67.12 (2)
B3—B4—MgN	157.83 (9)	B13^xv—B15—MgD^viii	123.64 (6)
B11—B4—MgN	55.46 (3)	MgD^xxviii—B15—MgD^viii	180.00 (2)
B12—B4—MgN	105.46 (4)	B13—B15—MgD^x	56.36 (6)
MgF^ix—B4—MgN^x	72.59 (9)	B13^xxv—B15—MgD^x	123.64 (6)
B8^viii—B4—MgN^x	123.78 (5)	B13ⁱ—B15—MgD^x	67.12 (2)
B4^xi—B4—MgN^x	69.42 (6)	B13^xiii—B15—MgD^x	67.12 (2)
B10ⁱ—B4—MgN^x	164.11 (8)	B13^xvi—B15—MgD^x	112.88 (2)
B3—B4—MgN^x	67.89 (3)	B13^xv—B15—MgD^x	112.88 (2)
B11—B4—MgN^x	104.20 (4)	MgD^xxviii—B15—MgD^x	119.089 (4)
B12—B4—MgN^x	57.55 (3)	MgD^viii—B15—MgD^x	60.911 (4)
MgN—B4—MgN^x	107.70 (4)	B13—B15—MgD^xxix	123.64 (6)
MgF^ix—B4—MgF^xii	78.50 (14)	B13^xxv—B15—MgD^xxix	56.36 (6)
B8^viii—B4—MgF^xii	162.81 (12)	B13ⁱ—B15—MgD^xxix	112.88 (2)
B4^xi—B4—MgF^xii	72.57 (5)	B13^xiii—B15—MgD^xxix	112.88 (2)
B10ⁱ—B4—MgF^xii	112.77 (4)	B13^xvi—B15—MgD^xxix	67.12 (2)
B3—B4—MgF^xii	110.31 (4)	B13^xv—B15—MgD^xxix	67.12 (2)
B11—B4—MgF^xii	61.31 (3)	MgD^xxviii—B15—MgD^xxix	60.911 (4)
B12—B4—MgF^xii	63.43 (3)	MgD^viii—B15—MgD^xxix	119.089 (4)
MgN—B4—MgF^xii	55.650 (18)	MgD^x—B15—MgD^xxix	180.0
MgN^x—B4—MgF^xii	55.090 (17)	B13—B15—MgD^xxx	112.88 (2)
B7—B5—B6ⁱ	123.62 (4)	B13^xxv—B15—MgD^xxx	67.12 (2)
B7—B5—B6^xiii	123.62 (4)	B13ⁱ—B15—MgD^xxx	67.12 (2)
B6ⁱ—B5—B6^xiii	105.19 (6)	B13^xiii—B15—MgD^xxx	123.64 (6)
B7—B5—B6^xiv	124.46 (6)	B13^xvi—B15—MgD^xxx	56.36 (6)
B6ⁱ—B5—B6^xiv	58.71 (3)	B13^xv—B15—MgD^xxx	112.88 (2)
B6^xiii—B5—B6^xiv	58.71 (3)	MgD^xxviii—B15—MgD^xxx	119.087 (4)
B7—B5—B5^xv	121.31 (3)	MgD^viii—B15—MgD^xxx	60.913 (4)
B6ⁱ—B5—B5^xv	106.42 (3)	MgD^x—B15—MgD^xxx	119.087 (4)
B6^xiii—B5—B5^xv	59.22 (3)	MgD^xxix—B15—MgD^xxx	60.913 (4)
B6^xiv—B5—B5^xv	106.09 (3)	B13—B15—MgD^xxvii	67.12 (2)
B7—B5—B5^xvi	121.31 (3)	B13^xxv—B15—MgD^xxvii	112.88 (2)
B6ⁱ—B5—B5^xvi	59.22 (3)	B13ⁱ—B15—MgD^xxvii	112.88 (2)
B6^xiii—B5—B5^xvi	106.42 (3)	B13^xiii—B15—MgD^xxvii	56.36 (6)
B6^xiv—B5—B5^xvi	106.09 (3)	B13^xvi—B15—MgD^xxvii	123.64 (6)
B5^xv—B5—B5^xvi	60.0	B13^xv—B15—MgD^xxvii	67.12 (2)
B8—B6—B6^xvii	122.451 (10)	MgD^xxviii—B15—MgD^xxvii	60.913 (4)
B8—B6—B6^xviii	122.451 (10)	MgD^viii—B15—MgD^xxvii	119.087 (4)
B6^xvii—B6—B6^xviii	106.67 (5)	MgD^x—B15—MgD^xxvii	60.913 (4)
B8—B6—B5^xiii	118.10 (5)	MgD^xxix—B15—MgD^xxvii	119.087 (4)
B6^xvii—B6—B5^xiii	61.65 (4)	MgD^xxx—B15—MgD^xxvii	180.0
B6^xviii—B6—B5^xiii	110.24 (4)	B11—MgN—B12^x	119.24 (4)
B8—B6—B5ⁱ	118.10 (5)	B11—MgN—B1	118.93 (3)
B6^xvii—B6—B5ⁱ	110.24 (4)	B12^x—MgN—B1	115.77 (3)
B6^xviii—B6—B5ⁱ	61.65 (4)	B11—MgN—B1ⁱⁱⁱ	118.93 (3)
B5^xiii—B6—B5ⁱ	61.56 (6)	B12^x—MgN—B1ⁱⁱⁱ	115.77 (3)
B8—B6—B5^xix	121.78 (6)	B1—MgN—B1ⁱⁱⁱ	49.37 (3)
B6^xvii—B6—B5^xix	59.64 (4)	B11—MgN—MgD	177.10 (4)
B6^xviii—B6—B5^xix	59.64 (4)	B12^x—MgN—MgD	57.86 (3)
B5^xiii—B6—B5^xix	111.27 (5)	B1—MgN—MgD	63.62 (2)
B5ⁱ—B6—B5^xix	111.27 (5)	B1ⁱⁱⁱ—MgN—MgD	63.62 (2)
B8—B6—MgF^xv	50.190 (19)	B11—MgN—MgE	64.09 (3)
B6^xvii—B6—MgF^xv	72.291 (16)	B12^x—MgN—MgE	176.67 (4)
B6^xviii—B6—MgF^xv	148.36 (6)	B1—MgN—MgE	61.29 (3)
B5^xiii—B6—MgF^xv	97.17 (3)	B1ⁱⁱⁱ—MgN—MgE	61.29 (3)
B5ⁱ—B6—MgF^xv	149.54 (4)	MgD—MgN—MgE	118.81 (3)
B5^xix—B6—MgF^xv	96.33 (3)	B11—MgN—B9ⁱ	84.13 (2)
B8—B6—MgF^xvii	50.190 (19)	B12^x—MgN—B9ⁱ	117.75 (2)
B6^xvii—B6—MgF^xvii	148.36 (6)	B1—MgN—B9ⁱ	47.02 (2)
B6^xviii—B6—MgF^xvii	72.291 (16)	B1ⁱⁱⁱ—MgN—B9ⁱ	92.73 (3)
B5^xiii—B6—MgF^xvii	149.54 (4)	MgD—MgN—B9ⁱ	97.25 (2)
B5ⁱ—B6—MgF^xvii	97.17 (3)	MgE—MgN—B9ⁱ	61.754 (19)
B5^xix—B6—MgF^xvii	96.33 (3)	B11—MgN—B9^xiii	84.13 (2)
MgF^xv—B6—MgF^xvii	92.16 (3)	B12^x—MgN—B9^xiii	117.76 (2)
B1^xiii—B7—B1^xx	61.48 (5)	B1—MgN—B9^xiii	92.73 (3)
B1^xiii—B7—B5	120.12 (5)	B1ⁱⁱⁱ—MgN—B9^xiii	47.02 (2)
B1^xx—B7—B5	120.12 (5)	MgD—MgN—B9^xiii	97.25 (2)
B1^xiii—B7—B9^xxi	112.88 (5)	MgE—MgN—B9^xiii	61.75 (2)
B1^xx—B7—B9^xxi	112.88 (5)	B9ⁱ—MgN—B9^xiii	121.67 (4)
B5—B7—B9^xxi	117.39 (5)	B11—MgN—B10ⁱ	46.85 (2)
B1^xiii—B7—B2^xx	111.52 (4)	B12^x—MgN—B10ⁱ	118.88 (2)
B1^xx—B7—B2^xx	60.55 (3)	B1—MgN—B10ⁱ	84.46 (2)
B5—B7—B2^xx	118.63 (3)	B1ⁱⁱⁱ—MgN—B10ⁱ	119.73 (3)
B9^xxi—B7—B2^xx	63.45 (3)	MgD—MgN—B10ⁱ	133.77 (2)
B1^xiii—B7—B2^xiii	60.55 (3)	MgE—MgN—B10ⁱ	63.11 (2)
B1^xx—B7—B2^xiii	111.52 (4)	B9ⁱ—MgN—B10ⁱ	39.60 (2)
B5—B7—B2^xiii	118.63 (3)	B9^xiii—MgN—B10ⁱ	117.92 (3)
B9^xxi—B7—B2^xiii	63.45 (3)	B11—MgN—B10^xiii	46.85 (2)
B2^xx—B7—B2^xiii	114.24 (6)	B12^x—MgN—B10^xiii	118.88 (2)
B4^xxii—B8—B4^v	116.74 (11)	B1—MgN—B10^xiii	119.73 (3)
B4^xxii—B8—B6	113.05 (7)	B1ⁱⁱⁱ—MgN—B10^xiii	84.46 (2)
B4^v—B8—B6	113.05 (7)	MgD—MgN—B10^xiii	133.77 (2)
B4^xxii—B8—B3^xxii	65.71 (4)	MgE—MgN—B10^xiii	63.11 (2)
B4^v—B8—B3^xxii	117.78 (7)	B9ⁱ—MgN—B10^xiii	117.92 (3)
B6—B8—B3^xxii	122.01 (5)	B9^xiii—MgN—B10^xiii	39.60 (2)
B4^xxii—B8—B3^v	117.78 (7)	B10ⁱ—MgN—B10^xiii	90.36 (4)
B4^v—B8—B3^v	65.71 (4)	B11—MgN—MgF^ix	64.45 (2)
B6—B8—B3^v	122.01 (5)	B12^x—MgN—MgF^ix	65.47 (2)
B3^xxii—B8—B3^v	62.03 (4)	B1—MgN—MgF^ix	122.12 (3)
B4^xxii—B8—B10^x	62.12 (4)	B1ⁱⁱⁱ—MgN—MgF^ix	171.44 (4)
B4^v—B8—B10^x	62.12 (4)	MgD—MgN—MgF^ix	113.23 (2)
B6—B8—B10^x	111.38 (5)	MgE—MgN—MgF^ix	117.17 (3)
B3^xxii—B8—B10^x	115.72 (5)	B9ⁱ—MgN—MgF^ix	79.61 (3)
B3^v—B8—B10^x	115.72 (5)	B9^xiii—MgN—MgF^ix	140.86 (4)
B4^xxii—B8—MgF^xvii	130.76 (6)	B10ⁱ—MgN—MgF^ix	55.88 (2)
B4^v—B8—MgF^xvii	19.76 (7)	B10^xiii—MgN—MgF^ix	102.45 (3)
B6—B8—MgF^xvii	93.38 (4)	B11—MgN—MgF^xii	64.45 (2)
B3^xxii—B8—MgF^xvii	133.21 (5)	B12^x—MgN—MgF^xii	65.47 (2)
B3^v—B8—MgF^xvii	73.74 (3)	B1—MgN—MgF^xii	171.44 (4)
B10^x—B8—MgF^xvii	69.85 (2)	B1ⁱⁱⁱ—MgN—MgF^xii	122.11 (3)
B4^xxii—B8—MgF^xv	19.76 (7)	MgD—MgN—MgF^xii	113.23 (2)
B4^v—B8—MgF^xv	130.76 (6)	MgE—MgN—MgF^xii	117.17 (3)
B6—B8—MgF^xv	93.38 (4)	B9ⁱ—MgN—MgF^xii	140.86 (4)
B3^xxii—B8—MgF^xv	73.75 (3)	B9^xiii—MgN—MgF^xii	79.61 (3)
B3^v—B8—MgF^xv	133.21 (5)	B10ⁱ—MgN—MgF^xii	102.45 (3)
B10^x—B8—MgF^xv	69.85 (2)	B10^xiii—MgN—MgF^xii	55.88 (3)
MgF^xvii—B8—MgF^xv	138.80 (4)	MgF^ix—MgN—MgF^xii	66.38 (6)
B10—B9—B7^xxi	115.70 (6)	B13^x—MgD—B12^x	114.60 (5)
B10—B9—B2^xxiii	119.39 (3)	B13^x—MgD—B2ⁱⁱⁱ	87.88 (3)
B7^xxi—B9—B2^xxiii	58.63 (3)	B12^x—MgD—B2ⁱⁱⁱ	126.690 (19)
B10—B9—B2^xxiv	119.39 (3)	B13^x—MgD—B2	87.87 (3)
B7^xxi—B9—B2^xxiv	58.63 (3)	B12^x—MgD—B2	126.688 (19)
B2^xxiii—B9—B2^xxiv	106.56 (5)	B2ⁱⁱⁱ—MgD—B2	100.24 (3)
B10—B9—B1^xiii	127.63 (5)	B13^x—MgD—MgN	174.71 (5)
B7^xxi—B9—B1^xiii	108.72 (5)	B12^x—MgD—MgN	60.12 (3)
B2^xxiii—B9—B1^xiii	63.89 (3)	B2ⁱⁱⁱ—MgD—MgN	95.50 (2)
B2^xxiv—B9—B1^xiii	106.56 (4)	B2—MgD—MgN	95.50 (2)
B10—B9—B1^xx	127.63 (5)	B13^x—MgD—B3^xxii	46.76 (4)
B7^xxi—B9—B1^xx	108.72 (5)	B12^x—MgD—B3^xxii	148.02 (3)
B2^xxiii—B9—B1^xx	106.56 (4)	B2ⁱⁱⁱ—MgD—B3^xxii	44.26 (2)
B2^xxiv—B9—B1^xx	63.89 (3)	B2—MgD—B3^xxii	82.68 (2)
B1^xiii—B9—B1^xx	53.79 (4)	MgN—MgD—B3^xxii	137.67 (3)
B10—B9—MgN^xiii	70.21 (3)	B13^x—MgD—B3^v	46.76 (4)
B7^xxi—B9—MgN^xiii	123.97 (2)	B12^x—MgD—B3^v	148.01 (3)
B2^xxiii—B9—MgN^xiii	70.30 (2)	B2ⁱⁱⁱ—MgD—B3^v	82.69 (2)
B2^xxiv—B9—MgN^xiii	168.97 (5)	B2—MgD—B3^v	44.26 (2)
B1^xiii—B9—MgN^xiii	62.45 (3)	MgN—MgD—B3^v	137.67 (3)
B1^xx—B9—MgN^xiii	106.35 (4)	B3^xxii—MgD—B3^v	45.13 (3)
B10—B9—MgNⁱ	70.21 (3)	B13^x—MgD—B2^iv	114.786 (18)
B7^xxi—B9—MgNⁱ	123.96 (2)	B12^x—MgD—B2^iv	83.08 (2)
B2^xxiii—B9—MgNⁱ	168.97 (5)	B2ⁱⁱⁱ—MgD—B2^iv	132.27 (3)
B2^xxiv—B9—MgNⁱ	70.30 (2)	B2—MgD—B2^iv	44.13 (3)
B1^xiii—B9—MgNⁱ	106.35 (4)	MgN—MgD—B2^iv	65.670 (17)
B1^xx—B9—MgNⁱ	62.45 (2)	B3^xxii—MgD—B2^iv	126.73 (2)
MgN^xiii—B9—MgNⁱ	110.67 (4)	B3^v—MgD—B2^iv	84.42 (2)
B10—B9—MgE^xxv	72.18 (5)	B13^x—MgD—B2^xxxi	114.788 (17)
B7^xxi—B9—MgE^xxv	172.12 (5)	B12^x—MgD—B2^xxxi	83.09 (2)
B2^xxiii—B9—MgE^xxv	118.38 (3)	B2ⁱⁱⁱ—MgD—B2^xxxi	44.13 (3)
B2^xxiv—B9—MgE^xxv	118.38 (3)	B2—MgD—B2^xxxi	132.27 (3)
B1^xiii—B9—MgE^xxv	64.40 (4)	MgN—MgD—B2^xxxi	65.671 (17)
B1^xx—B9—MgE^xxv	64.40 (4)	B3^xxii—MgD—B2^xxxi	84.42 (2)
MgN^xiii—B9—MgE^xxv	57.40 (2)	B3^v—MgD—B2^xxxi	126.73 (2)
MgNⁱ—B9—MgE^xxv	57.40 (2)	B2^iv—MgD—B2^xxxi	129.90 (4)
B9—B10—B4^xx	122.86 (7)	B13^x—MgD—B13^xxxii	74.41 (7)
B9—B10—B4^xiii	122.86 (7)	B12^x—MgD—B13^xxxii	45.88 (4)
B4^xx—B10—B4^xiii	101.83 (10)	B2ⁱⁱⁱ—MgD—B13^xxxii	105.88 (4)
B9—B10—B8^x	129.29 (6)	B2—MgD—B13^xxxii	147.57 (5)
B4^xx—B10—B8^x	53.69 (3)	MgN—MgD—B13^xxxii	100.70 (4)
B4^xiii—B10—B8^x	53.69 (3)	B3^xxii—MgD—B13^xxxii	102.92 (4)
B9—B10—B11^xiii	123.43 (5)	B3^v—MgD—B13^xxxii	120.58 (4)
B4^xx—B10—B11^xiii	107.57 (7)	B2^iv—MgD—B13^xxxii	120.15 (4)
B4^xiii—B10—B11^xiii	62.05 (5)	B2^xxxi—MgD—B13^xxxii	80.14 (4)
B8^x—B10—B11^xiii	99.81 (4)	B13^x—MgD—B13^v	74.41 (7)
B9—B10—B11ⁱ	123.43 (5)	B12^x—MgD—B13^v	45.88 (4)
B4^xx—B10—B11ⁱ	62.05 (5)	B2ⁱⁱⁱ—MgD—B13^v	147.58 (5)
B4^xiii—B10—B11ⁱ	107.57 (7)	B2—MgD—B13^v	105.88 (4)
B8^x—B10—B11ⁱ	99.81 (4)	MgN—MgD—B13^v	100.70 (4)
B11^xiii—B10—B11ⁱ	59.53 (6)	B3^xxii—MgD—B13^v	120.58 (4)
B9—B10—MgF^xxiv	104.31 (3)	B3^v—MgD—B13^v	102.92 (4)
B4^xx—B10—MgF^xxiv	114.64 (5)	B2^iv—MgD—B13^v	80.14 (4)
B4^xiii—B10—MgF^xxiv	18.67 (6)	B2^xxxi—MgD—B13^v	120.15 (4)
B8^x—B10—MgF^xxiv	61.81 (3)	B13^xxxii—MgD—B13^v	43.64 (8)
B11^xiii—B10—MgF^xxiv	72.62 (5)	B13^x—MgD—B3^x	110.61 (4)
B11ⁱ—B10—MgF^xxiv	125.02 (5)	B12^x—MgD—B3^x	43.372 (16)
B9—B10—MgF^xxvi	104.31 (3)	B2ⁱⁱⁱ—MgD—B3^x	84.05 (2)
B4^xx—B10—MgF^xxvi	18.67 (6)	B2—MgD—B3^x	161.26 (3)
B4^xiii—B10—MgF^xxvi	114.64 (5)	MgN—MgD—B3^x	65.84 (2)
B8^x—B10—MgF^xxvi	61.81 (3)	B3^xxii—MgD—B3^x	111.948 (17)
B11^xiii—B10—MgF^xxvi	125.02 (5)	B3^v—MgD—B3^x	154.04 (3)
B11ⁱ—B10—MgF^xxvi	72.62 (5)	B2^iv—MgD—B3^x	120.70 (3)
MgF^xxiv—B10—MgF^xxvi	123.00 (7)	B2^xxxi—MgD—B3^x	43.13 (2)
B9—B10—MgN^xiii	70.19 (3)	B13^xxxii—MgD—B3^x	43.36 (4)
B4^xx—B10—MgN^xiii	165.69 (7)	B13^v—MgD—B3^x	77.40 (4)
B4^xiii—B10—MgN^xiii	72.08 (4)	MgN—MgE—MgN^xv	116.996 (14)
B8^x—B10—MgN^xiii	124.636 (18)	MgN—MgE—MgN^xvi	116.996 (14)
B11^xiii—B10—MgN^xiii	58.12 (3)	MgN^xv—MgE—MgN^xvi	116.996 (14)
B11ⁱ—B10—MgN^xiii	106.76 (4)	MgN—MgE—B1^xxxiii	141.06 (3)
MgF^xxiv—B10—MgN^xiii	63.10 (3)	MgN^xv—MgE—B1^xxxiii	58.125 (18)
MgF^xxvi—B10—MgN^xiii	173.22 (4)	MgN^xvi—MgE—B1^xxxiii	95.06 (2)
B9—B10—MgNⁱ	70.19 (3)	MgN—MgE—B1^xvi	141.06 (3)
B4^xx—B10—MgNⁱ	72.08 (4)	MgN^xv—MgE—B1^xvi	95.06 (2)
B4^xiii—B10—MgNⁱ	165.69 (7)	MgN^xvi—MgE—B1^xvi	58.125 (18)
B8^x—B10—MgNⁱ	124.633 (19)	B1^xxxiii—MgE—B1^xvi	42.37 (3)
B11^xiii—B10—MgNⁱ	106.76 (4)	MgN—MgE—B1^xv	95.06 (2)
B11ⁱ—B10—MgNⁱ	58.12 (3)	MgN^xv—MgE—B1^xv	58.125 (18)
MgF^xxiv—B10—MgNⁱ	173.22 (3)	MgN^xvi—MgE—B1^xv	141.06 (3)
MgF^xxvi—B10—MgNⁱ	63.10 (3)	B1^xxxiii—MgE—B1^xv	47.71 (3)
MgN^xiii—B10—MgNⁱ	110.64 (4)	B1^xvi—MgE—B1^xv	83.14 (3)
B9—B10—MgE^xxv	68.99 (4)	MgN—MgE—B1	58.125 (18)
B4^xx—B10—MgE^xxv	119.62 (3)	MgN^xv—MgE—B1	141.06 (3)
B4^xiii—B10—MgE^xxv	119.62 (3)	MgN^xvi—MgE—B1	95.06 (2)
B8^x—B10—MgE^xxv	161.71 (5)	B1^xxxiii—MgE—B1	99.95 (4)
B11^xiii—B10—MgE^xxv	64.60 (3)	B1^xvi—MgE—B1	83.14 (3)
B11ⁱ—B10—MgE^xxv	64.60 (4)	B1^xv—MgE—B1	83.14 (3)
MgF^xxiv—B10—MgE^xxv	118.01 (4)	MgN—MgE—B1ⁱⁱ	95.06 (2)
MgF^xxvi—B10—MgE^xxv	118.01 (4)	MgN^xv—MgE—B1ⁱⁱ	141.06 (3)
MgN^xiii—B10—MgE^xxv	56.760 (19)	MgN^xvi—MgE—B1ⁱⁱ	58.125 (18)
MgNⁱ—B10—MgE^xxv	56.760 (19)	B1^xxxiii—MgE—B1ⁱⁱ	83.14 (3)
B14—B11—B11^xv	59.37 (3)	B1^xvi—MgE—B1ⁱⁱ	47.71 (3)
B14—B11—B11^xvi	59.37 (3)	B1^xv—MgE—B1ⁱⁱ	99.95 (4)
B11^xv—B11—B11^xvi	60.0	B1—MgE—B1ⁱⁱ	42.37 (3)
B14—B11—B10ⁱ	104.96 (3)	MgN—MgE—B1ⁱⁱⁱ	58.125 (18)
B11^xv—B11—B10ⁱ	116.29 (3)	MgN^xv—MgE—B1ⁱⁱⁱ	95.06 (2)
B11^xvi—B11—B10ⁱ	60.24 (3)	MgN^xvi—MgE—B1ⁱⁱⁱ	141.06 (3)
B14—B11—B10^xiii	104.96 (3)	B1^xxxiii—MgE—B1ⁱⁱⁱ	83.14 (3)
B11^xv—B11—B10^xiii	60.24 (3)	B1^xvi—MgE—B1ⁱⁱⁱ	99.95 (4)
B11^xvi—B11—B10^xiii	116.29 (3)	B1^xv—MgE—B1ⁱⁱⁱ	42.37 (3)
B10ⁱ—B11—B10^xiii	139.88 (6)	B1—MgE—B1ⁱⁱⁱ	47.71 (3)
B14—B11—B4	101.71 (6)	B1ⁱⁱ—MgE—B1ⁱⁱⁱ	83.14 (3)
B11^xv—B11—B4	159.56 (6)	MgN—MgE—B11	53.72 (3)
B11^xvi—B11—B4	104.99 (5)	MgN^xv—MgE—B11	93.44 (3)
B10ⁱ—B11—B4	57.99 (3)	MgN^xvi—MgE—B11	93.44 (3)
B10^xiii—B11—B4	138.11 (7)	B1^xxxiii—MgE—B11	151.02 (3)
B14—B11—B4ⁱⁱⁱ	101.71 (6)	B1^xvi—MgE—B11	151.02 (3)
B11^xv—B11—B4ⁱⁱⁱ	104.99 (5)	B1^xv—MgE—B11	124.451 (19)
B11^xvi—B11—B4ⁱⁱⁱ	159.56 (6)	B1—MgE—B11	106.82 (2)
B10ⁱ—B11—B4ⁱⁱⁱ	138.11 (7)	B1ⁱⁱ—MgE—B11	124.451 (19)
B10^xiii—B11—B4ⁱⁱⁱ	57.99 (3)	B1ⁱⁱⁱ—MgE—B11	106.82 (2)
B4—B11—B4ⁱⁱⁱ	85.45 (7)	MgN—MgE—B11^xvi	93.44 (3)
B14—B11—B12	54.95 (4)	MgN^xv—MgE—B11^xvi	93.44 (3)
B11^xv—B11—B12	106.29 (3)	MgN^xvi—MgE—B11^xvi	53.72 (3)
B11^xvi—B11—B12	106.29 (3)	B1^xxxiii—MgE—B11^xvi	124.451 (19)
B10ⁱ—B11—B12	109.46 (3)	B1^xvi—MgE—B11^xvi	106.82 (2)
B10^xiii—B11—B12	109.46 (3)	B1^xv—MgE—B11^xvi	151.02 (3)
B4—B11—B12	62.52 (4)	B1—MgE—B11^xvi	124.451 (19)
B4ⁱⁱⁱ—B11—B12	62.52 (4)	B1ⁱⁱ—MgE—B11^xvi	106.82 (2)
B14—B11—MgN	179.96 (4)	B1ⁱⁱⁱ—MgE—B11^xvi	151.02 (3)
B11^xv—B11—MgN	120.61 (2)	B11—MgE—B11^xvi	44.94 (4)
B11^xvi—B11—MgN	120.61 (2)	MgN—MgE—B11^xv	93.44 (3)
B10ⁱ—B11—MgN	75.04 (3)	MgN^xv—MgE—B11^xv	53.72 (3)
B10^xiii—B11—MgN	75.04 (3)	MgN^xvi—MgE—B11^xv	93.44 (3)
B4—B11—MgN	78.32 (6)	B1^xxxiii—MgE—B11^xv	106.82 (2)
B4ⁱⁱⁱ—B11—MgN	78.32 (6)	B1^xvi—MgE—B11^xv	124.451 (19)
B12—B11—MgN	125.09 (5)	B1^xv—MgE—B11^xv	106.82 (2)
B14—B11—MgE	117.77 (5)	B1—MgE—B11^xv	151.02 (3)
B11^xv—B11—MgE	67.529 (18)	B1ⁱⁱ—MgE—B11^xv	151.02 (3)
B11^xvi—B11—MgE	67.529 (18)	B1ⁱⁱⁱ—MgE—B11^xv	124.451 (19)
B10ⁱ—B11—MgE	71.32 (3)	B11—MgE—B11^xv	44.94 (4)
B10^xiii—B11—MgE	71.32 (3)	B11^xvi—MgE—B11^xv	44.94 (4)
B4—B11—MgE	122.02 (4)	B4^ix—MgF—B4^xxxiv	168.1 (2)
B4ⁱⁱⁱ—B11—MgE	122.02 (4)	B4^ix—MgF—B8^xviii	41.91 (9)
B12—B11—MgE	172.71 (5)	B4^xxxiv—MgF—B8^xviii	149.94 (15)
MgN—B11—MgE	62.20 (3)	B4^ix—MgF—B8^xvi	149.94 (15)
B14—B11—MgF^ix	115.56 (4)	B4^xxxiv—MgF—B8^xvi	41.91 (9)
B11^xv—B11—MgF^ix	174.67 (2)	B8^xviii—MgF—B8^xvi	108.26 (8)
B11^xvi—B11—MgF^ix	116.63 (3)	B4^ix—MgF—B10^xxx	138.86 (5)
B10ⁱ—B11—MgF^ix	62.39 (4)	B4^xxxiv—MgF—B10^xxx	43.94 (5)
B10^xiii—B11—MgF^ix	124.40 (5)	B8^xviii—MgF—B10^xxx	118.52 (6)
B4—B11—MgF^ix	15.14 (6)	B8^xvi—MgF—B10^xxx	48.34 (3)
B4ⁱⁱⁱ—B11—MgF^ix	77.15 (5)	B4^ix—MgF—B10^vi	43.94 (5)
B12—B11—MgF^ix	70.17 (3)	B4^xxxiv—MgF—B10^vi	138.86 (5)
MgN—B11—MgF^ix	64.47 (3)	B8^xviii—MgF—B10^vi	48.34 (3)
MgE—B11—MgF^ix	115.69 (3)	B8^xvi—MgF—B10^vi	118.52 (6)
B14—B11—MgF^xii	115.56 (4)	B10^xxx—MgF—B10^vi	161.61 (9)
B11^xv—B11—MgF^xii	116.63 (3)	B4^ix—MgF—B3^xxxiv	140.10 (5)
B11^xvi—B11—MgF^xii	174.67 (2)	B4^xxxiv—MgF—B3^xxxiv	42.02 (5)
B10ⁱ—B11—MgF^xii	124.40 (5)	B8^xviii—MgF—B3^xxxiv	124.98 (6)
B10^xiii—B11—MgF^xii	62.38 (4)	B8^xvi—MgF—B3^xxxiv	44.71 (3)
B4—B11—MgF^xii	77.15 (5)	B10^xxx—MgF—B3^xxxiv	80.62 (2)
B4ⁱⁱⁱ—B11—MgF^xii	15.14 (6)	B10^vi—MgF—B3^xxxiv	97.21 (3)
B12—B11—MgF^xii	70.17 (3)	B4^ix—MgF—B3^ix	42.02 (5)
MgN—B11—MgF^xii	64.47 (3)	B4^xxxiv—MgF—B3^ix	140.10 (5)
MgE—B11—MgF^xii	115.69 (3)	B8^xviii—MgF—B3^ix	44.71 (3)
MgF^ix—B11—MgF^xii	66.39 (7)	B8^xvi—MgF—B3^ix	124.98 (6)
B3—B12—B3ⁱⁱⁱ	146.17 (6)	B10^xxx—MgF—B3^ix	97.21 (3)
B3—B12—B14	102.69 (3)	B10^vi—MgF—B3^ix	80.62 (2)
B3ⁱⁱⁱ—B12—B14	102.69 (3)	B3^xxxiv—MgF—B3^ix	166.54 (8)
B3—B12—B13ⁱ	60.28 (6)	B4^ix—MgF—B11^ix	36.14 (8)
B3ⁱⁱⁱ—B12—B13ⁱ	116.54 (6)	B4^xxxiv—MgF—B11^ix	133.97 (13)
B14—B12—B13ⁱ	59.73 (6)	B8^xviii—MgF—B11^ix	74.07 (2)
B3—B12—B13^xiii	116.54 (6)	B8^xvi—MgF—B11^ix	156.36 (3)
B3ⁱⁱⁱ—B12—B13^xiii	60.28 (6)	B10^xxx—MgF—B11^ix	151.91 (6)
B14—B12—B13^xiii	59.73 (6)	B10^vi—MgF—B11^ix	44.99 (2)
B13ⁱ—B12—B13^xiii	59.03 (10)	B3^xxxiv—MgF—B11^ix	113.96 (3)
B3—B12—B11	106.11 (3)	B3^ix—MgF—B11^ix	73.87 (3)
B3ⁱⁱⁱ—B12—B11	106.11 (3)	B4^ix—MgF—B11^xxxv	133.97 (13)
B14—B12—B11	58.40 (6)	B4^xxxiv—MgF—B11^xxxv	36.14 (8)
B13ⁱ—B12—B11	109.88 (5)	B8^xviii—MgF—B11^xxxv	156.36 (3)
B13^xiii—B12—B11	109.88 (5)	B8^xvi—MgF—B11^xxxv	74.07 (2)
B3—B12—B4	59.07 (3)	B10^xxx—MgF—B11^xxxv	44.99 (2)
B3ⁱⁱⁱ—B12—B4	135.93 (6)	B10^vi—MgF—B11^xxxv	151.91 (6)
B14—B12—B4	100.36 (6)	B3^xxxiv—MgF—B11^xxxv	73.87 (3)
B13ⁱ—B12—B4	107.50 (6)	B3^ix—MgF—B11^xxxv	113.96 (3)
B13^xiii—B12—B4	159.29 (8)	B11^ix—MgF—B11^xxxv	113.61 (7)
B11—B12—B4	57.38 (4)	B4^ix—MgF—MgN^ix	84.73 (8)
B3—B12—B4ⁱⁱⁱ	135.93 (6)	B4^xxxiv—MgF—MgN^ix	88.78 (8)
B3ⁱⁱⁱ—B12—B4ⁱⁱⁱ	59.07 (3)	B8^xviii—MgF—MgN^ix	109.16 (2)
B14—B12—B4ⁱⁱⁱ	100.36 (6)	B8^xvi—MgF—MgN^ix	108.26 (2)
B13ⁱ—B12—B4ⁱⁱⁱ	159.29 (8)	B10^xxx—MgF—MgN^ix	131.26 (4)
B13^xiii—B12—B4ⁱⁱⁱ	107.50 (6)	B10^vi—MgF—MgN^ix	61.02 (2)
B11—B12—B4ⁱⁱⁱ	57.38 (4)	B3^xxxiv—MgF—MgN^ix	63.62 (2)
B4—B12—B4ⁱⁱⁱ	80.20 (6)	B3^ix—MgF—MgN^ix	124.93 (4)
B3—B12—MgD^x	73.69 (3)	B11^ix—MgF—MgN^ix	51.08 (3)
B3ⁱⁱⁱ—B12—MgD^x	73.69 (3)	B11^xxxv—MgF—MgN^ix	91.66 (4)
B14—B12—MgD^x	123.91 (6)	B4^ix—MgF—MgN^xxxv	88.78 (8)
B13ⁱ—B12—MgD^x	72.09 (5)	B4^xxxiv—MgF—MgN^xxxv	84.72 (8)
B13^xiii—B12—MgD^x	72.09 (5)	B8^xviii—MgF—MgN^xxxv	108.26 (2)
B11—B12—MgD^x	177.69 (5)	B8^xvi—MgF—MgN^xxxv	109.16 (2)
B4—B12—MgD^x	121.11 (4)	B10^xxx—MgF—MgN^xxxv	61.02 (2)
B4ⁱⁱⁱ—B12—MgD^x	121.11 (4)	B10^vi—MgF—MgN^xxxv	131.26 (4)
B3—B12—MgN^x	78.53 (3)	B3^xxxiv—MgF—MgN^xxxv	124.93 (4)
B3ⁱⁱⁱ—B12—MgN^x	78.53 (3)	B3^ix—MgF—MgN^xxxv	63.62 (2)
B14—B12—MgN^x	174.07 (6)	B11^ix—MgF—MgN^xxxv	91.66 (4)
B13ⁱ—B12—MgN^x	125.07 (6)	B11^xxxv—MgF—MgN^xxxv	51.07 (3)
B13^xiii—B12—MgN^x	125.08 (6)	MgN^ix—MgF—MgN^xxxv	113.62 (6)

Symmetry codes: (i) y, −x+y, −z+1; (ii) x, x−y, z; (iii) −x+y, y, z; (iv) −x+2/3, −x+y+1/3, −z+1/3; (v) −x+y+1/3, −x+2/3, z−1/3; (vi) −y+2/3, x−y+1/3, z−2/3; (vii) x−y+2/3, x+1/3, −z+1/3; (viii) −y+2/3, x−y+1/3, z+1/3; (ix) −x+2/3, −y+1/3, −z+1/3; (x) −x+1/3, −y+2/3, −z+2/3; (xi) x−y+1/3, −y+2/3, −z+2/3; (xii) x−1/3, y+1/3, z+1/3; (xiii) x−y, x, −z+1; (xiv) x, y, z+1; (xv) −y, x−y, z; (xvi) −x+y, −x, z; (xvii) x−y, x, −z; (xviii) y, −x+y, −z; (xix) x, y, z−1; (xx) y, x, −z+1; (xxi) −x+1/3, −y+2/3, −z+5/3; (xxii) −y+1/3, −x+2/3, z−1/3; (xxiii) −y+1/3, −x+2/3, z+2/3; (xxiv) −x+y+1/3, −x+2/3, z+2/3; (xxv) −x, −y, −z+1; (xxvi) y+1/3, −x+y+2/3, −z+2/3; (xxvii) −x+y−1/3, −x+1/3, z+1/3; (xxviii) y−2/3, −x+y−1/3, −z+2/3; (xxix) x−1/3, y−2/3, z+1/3; (xxx) x−y+1/3, x−1/3, −z+2/3; (xxxi) y−1/3, −x+y+1/3, −z+1/3; (xxxii) −y+1/3, x−y+2/3, z−1/3; (xxxiii) −y, −x, z; (xxxiv) −x+y+1/3, y−1/3, z−1/3; (xxxv) x+1/3, y−1/3, z−1/3.

Experimental details

Crystal data
Chemical formula	Mg₂B₂₅
M_r	318.87
Crystal system, space group	Hexagonal, R3m
Temperature (K)	298
a, c (Å)	11.0398 (5), 24.195 (1)
V (Å³)	2553.75 (19)
Z	12
Radiation type	Mo Kα
µ (mm⁻¹)	0.23
Crystal size (mm)	0.08 × 0.07 × 0.07

Data collection
Diffractometer	Oxford Xcalibur 3 CCD diffractometer
Absorption correction	Gaussian (ABSPACK; Oxford Diffraction, 2006)
T_min, T_max	0.982, 0.984
No. of measured, independent and observed [I > 2σ(I)] reflections	4794, 799, 724
R_int	0.045
(sin θ/λ)_max (Å⁻¹)	0.661

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.021, 0.049, 1.13
No. of reflections	799
No. of parameters	122
Δρ_max, Δρ_min (e Å⁻³)	0.14, −0.31

Computer programs: CrysAlis CCD (Oxford Diffraction, 2006), CrysAlis RED (Oxford Diffraction, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2001).

References

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