Redetermination of LaZn₅ based on single crystal X-ray diffraction data

The crystal structure of the already known binary title compound LaZn₅ (lanthanum penta­zinc) (space group P6/mmm, Pearson symbol hP6, CaCu₅ structure type) has been redetermined from single-crystal X-ray diffraction data. In contrast to previous determinations based on X-ray powder data [Nowotny (1942). Z. Metallkd. 34, 247-253; de Negri et al. (2008). Inter­metallics, 16, 168-178], where unit-cell parameters and assignment of the structure type were reported, the present study reveals anisotropic displacement parameters for all atoms. The crystal structure consists of three crytallographically distinct atoms. The La atom (Wyckoff site 1a, site symmetry 6/mmm) is surrounded by 18 Zn atoms and two La atoms. The coordination polyhedron around one of the Zn atoms (Wyckoff site 2c, site symmetry -6m2) is an icosa­hedron made up from three La and nine Zn atoms. The other Zn atom (Wyckoff site 3g, site symmetry mmm) is surrounded by four La and eight Zn atoms. Bonding between atoms is explored by means of the TB-LMTO-ASA (tight-binding linear muffin-tin orbital atomic spheres approximation) program package. The positive charge density is localized around La atoms, and the negative charge density is around Zn atoms, with weak covalent bonding between the latter.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](La-Zn) = 0.001 Å
• R factor = 0.018
• wR factor = 0.037
• Data-to-parameter ratio = 8.1

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.11
PLAT752_ALERT_4_C Angle   Calc      126.54, Rep   126.54(1) ......  Senseless su
              ZN2  -ZN1  -LA1     1.555   1.555   1.555      #        104
PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on    La1       1.02 eA-3

Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          1
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ...          3 Units

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

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

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S1. Comment

This paper is part of a systematic investigation of binary RE—Zn (Oshchapovsky et al., 2011a; Zelinska et al., 2004) and ternary RE—Zn—M systems (where RE is a rare earth metal and M is a p-element of group IV) (Oshchapovsky et al., 2011b; Pavlyuk et al., 2009). The binary La—Zn system is not completely investigated yet (Berche et al., 2009), especially with respect to the structure of the compound LaZn₄. In order to determine its crystal structure a sample with the same composition was synthesized. However, this sample was prepared under non-equilibrium conditions and phase analysis from X-ray powder data revealed the presence of LaZn₅, LaZn₂, trace amounts of LaZn and strong reflections of unknown phase(s). The lattice parameters of the title LaZn₅ phase were determined for the first time based on X-ray powder diffraction data (Nowotny, 1942). Previous authors (Nowotny, 1942; de Negri et al., 2008) also assigned the structure type. However, a complete crystal structure determination including anisotropic displacement parameters was not carried out before. Therefore a high-quality single-crystal of LaZn₅ was selected and the results of the full structure determination are presented in this paper.

The crystal structure consists of three crytallographically distinct atoms. La1 (Wyckoff site 1a, site symmetry 6/mmm) is surrounded by 18 Zn atoms and 2 La atoms. The coordination polyhedron around Zn1 atom (Wyckoff site 2c, site symmetry -6m2) is an icosahedron formed by 3 La and 9 Zn atoms. Zn2 (Wyckoff site 3g, site symmetry mmm) is surrounded by 4 La and 8 Zn atoms. The projection of the LaZn₅ unit cell is given in Fig. 1. The thermal displacement of the lanthanum atom is almost isotropic. The thermal ellipsoids of the Zn1 atoms are oblate along the c axis. The thermal ellipsoids of the Zn2 atoms are extended along the a and b axes due to the largest space for displacement in this direction (the distances of corresponding atoms to each other and to La atoms are larger than for Zn1 atoms).

The electronic structure of LaZn₅ was calculated using the TB-LMTO-ASA package (Andersen et al., 1986). The dominant type of bonding in this compound is metallic. The La atoms donate their electrons to the Zn atoms. Therefore positive charge density can be observed around the rare earth atom and negative charge density is around the transition metal atoms. This fact, together with significant electron density (~0.4 e/ų) and significant ELF density (~0.4) between Zn atoms, confirms the weak covalent bonding between them. In other words, an ion–metallic bonding between La and Zn atoms and a covalent–metallic bonding between Zn atoms is evident (Figure 2). A similar way of bond formation is also observed for LaZn_12.37 (Oshchapovsky et al., 2011a) and La₅Zn₂Sn (Oshchapovsky et al., 2011b) which were investigated previously. The density of states (DOS) plot confirms a metallic-type of conductivity of the title compound (Figure 3), and it is rather similar to the DOS plot for the LaZn_12.37 compound.

Related literature

For previous structural studies of the title compound, see: de Negri et al. (2008); Nowotny (1942). For general background, see: Andersen et al. (1986); Berche et al. (2009); Oshchapovsky et al. (2011a,b); Pavlyuk et al. (2009); Zelinska et al. (2004).

S2. Experimental

A small irregularly shaped single crystal of LaZn₅ was selected by mechanical fragmentation of a sample with nominal composition LaZn₄. The sample was prepared by mixing stoichiometric amounts of Zn and LaZn powders with subsequent pressing into a pellet. This pellet was sealed in an evacuated silica ampoule and annealed in a resistance furnace at 873 K for 30 days and subsequently quenched in cold water. No reaction between the alloy and the silica container was observed.

S3. Refinement

The highest peak of 1.11 e/ų is at (0; 0; 0.1905) and 0.81 Šaway from the La1 atom. The deepest hole -0.71 e/ų is at (0; 0; 1/2) and 2.13 Šaway from the same atom.

Computing details

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006) and VESTA (Momma & Izumi, 2008); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures

	Fig. 1. Projection of the unit cell, coordination polyhedra of the atoms and the covalent bonds in the LaZn5 compound. Atoms are given with their anisotropic displacement ellipsoids at the 99.99% probability level.
	Fig. 2. Isosurfaces of ELF drawn at the level 0.3 at z=0 and z=0.5 and sections for the LaZn5 compound.
	Fig. 3. Density of states plot for the LaZn5 compound.

lanthanum pentazinc

Crystal data

LaZn5	Dx = 7.024 Mg m^−3
Mr = 465.86	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P6/mmm	Cell parameters from 1123 reflections
Hall symbol: -P 6 2	θ = 4.3–27.5°
a = 5.4654 (17) Å	µ = 36.05 mm^−1
c = 4.2574 (15) Å	T = 296 K
V = 110.13 (6) Å^3	Irregular shape, metallic grey
Z = 1	0.04 × 0.02 × 0.02 mm
F(000) = 207

Data collection

Bruker APEXII CCD diffractometer	73 independent reflections
Radiation source: fine-focus sealed tube	62 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.069
ϕ and ω scans	θmax = 27.5°, θmin = 4.3°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −6→7
Tmin = 0.410, Tmax = 0.478	k = −6→7
1123 measured reflections	l = −5→5

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.018	w = 1/[σ^2(Fo^2) + (0.P)^2 + 0.1413P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.037	(Δ/σ)max < 0.001
S = 1.17	Δρmax = 1.11 e Å^−3
73 reflections	Δρmin = −0.71 e Å^−3
9 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.022 (4)
0 constraints

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
La1	0.0000	0.0000	0.0000	0.0099 (4)
Zn1	0.3333	0.6667	0.0000	0.0124 (4)
Zn2	0.5000	1.0000	0.5000	0.0121 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.0106 (4)	0.0106 (4)	0.0085 (6)	0.0053 (2)	0.000	0.000
Zn1	0.0146 (5)	0.0146 (5)	0.0081 (8)	0.0073 (3)	0.000	0.000
Zn2	0.0162 (5)	0.0104 (6)	0.0079 (6)	0.0052 (3)	0.000	0.000

Geometric parameters (Å, º)

La1—Zn1^i	3.1554 (10)	Zn1—Zn2^xiii	2.6496 (7)
La1—Zn1^ii	3.1554 (10)	Zn1—Zn1^i	3.1554 (10)
La1—Zn1^iii	3.1554 (10)	Zn1—La1^xiv	3.1555 (10)
La1—Zn1	3.1555 (10)	Zn1—La1^xv	3.1555 (10)
La1—Zn1^iv	3.1555 (10)	Zn1—Zn1^xvi	3.1555 (10)
La1—Zn1^v	3.1555 (10)	Zn1—Zn1^v	3.1555 (10)
La1—Zn2^vi	3.4640 (8)	Zn2—Zn1^xvii	2.6496 (7)
La1—Zn2^vii	3.4640 (8)	Zn2—Zn1^xvi	2.6496 (7)
La1—Zn2^viii	3.4640 (8)	Zn2—Zn1^xviii	2.6496 (7)
La1—Zn2^ix	3.4640 (8)	Zn2—Zn2^xix	2.7327 (8)
La1—Zn2^iv	3.4640 (8)	Zn2—Zn2^viii	2.7327 (8)
La1—Zn2^x	3.4640 (8)	Zn2—Zn2^xx	2.7327 (8)
Zn1—Zn2^xi	2.6496 (7)	Zn2—Zn2^vi	2.7327 (8)
Zn1—Zn2	2.6496 (7)	Zn2—La1^xxi	3.4640 (8)
Zn1—Zn2^viii	2.6496 (7)	Zn2—La1^xiv	3.4640 (8)
Zn1—Zn2^xii	2.6496 (7)	Zn2—La1^xv	3.4640 (8)
Zn1—Zn2^vi	2.6496 (7)	Zn2—La1^xxii	3.4640 (8)
Zn1^i—La1—Zn1^ii	120.0	Zn2^xiii—Zn1—La1^xv	72.679 (6)
Zn1^i—La1—Zn1^iii	180.0	Zn1^i—Zn1—La1^xv	60.0
Zn1^ii—La1—Zn1^iii	60.0	La1^xiv—Zn1—La1^xv	120.0
Zn1^i—La1—Zn1	60.0	Zn2^xi—Zn1—La1	72.679 (6)
Zn1^ii—La1—Zn1	180.0	Zn2—Zn1—La1	126.545 (13)
Zn1^iii—La1—Zn1	120.0	Zn2^viii—Zn1—La1	72.679 (6)
Zn1^i—La1—Zn1^iv	60.0	Zn2^xii—Zn1—La1	126.545 (13)
Zn1^ii—La1—Zn1^iv	60.0	Zn2^vi—Zn1—La1	72.679 (5)
Zn1^iii—La1—Zn1^iv	120.0	Zn2^xiii—Zn1—La1	72.679 (6)
Zn1—La1—Zn1^iv	120.0	Zn1^i—Zn1—La1	60.0
Zn1^i—La1—Zn1^v	120.0	La1^xiv—Zn1—La1	120.0
Zn1^ii—La1—Zn1^v	120.0	La1^xv—Zn1—La1	120.0
Zn1^iii—La1—Zn1^v	60.0	Zn2^xi—Zn1—Zn1^xvi	107.321 (5)
Zn1—La1—Zn1^v	60.0	Zn2—Zn1—Zn1^xvi	53.455 (13)
Zn1^iv—La1—Zn1^v	180.0	Zn2^viii—Zn1—Zn1^xvi	107.321 (6)
Zn1^i—La1—Zn2^vi	46.905 (10)	Zn2^xii—Zn1—Zn1^xvi	53.455 (13)
Zn1^ii—La1—Zn2^vi	133.095 (10)	Zn2^vi—Zn1—Zn1^xvi	107.321 (6)
Zn1^iii—La1—Zn2^vi	133.095 (10)	Zn2^xiii—Zn1—Zn1^xvi	107.321 (6)
Zn1—La1—Zn2^vi	46.906 (10)	Zn1^i—Zn1—Zn1^xvi	120.0
Zn1^iv—La1—Zn2^vi	90.0	La1^xiv—Zn1—Zn1^xvi	60.0
Zn1^v—La1—Zn2^vi	90.0	La1^xv—Zn1—Zn1^xvi	60.0
Zn1^i—La1—Zn2^vii	133.095 (10)	La1—Zn1—Zn1^xvi	180.0
Zn1^ii—La1—Zn2^vii	46.905 (10)	Zn2^xi—Zn1—Zn1^v	53.455 (13)
Zn1^iii—La1—Zn2^vii	46.905 (10)	Zn2—Zn1—Zn1^v	107.321 (5)
Zn1—La1—Zn2^vii	133.094 (10)	Zn2^viii—Zn1—Zn1^v	53.455 (13)
Zn1^iv—La1—Zn2^vii	90.0	Zn2^xii—Zn1—Zn1^v	107.321 (6)
Zn1^v—La1—Zn2^vii	90.0	Zn2^vi—Zn1—Zn1^v	107.321 (6)
Zn2^vi—La1—Zn2^vii	180.0	Zn2^xiii—Zn1—Zn1^v	107.321 (6)
Zn1^i—La1—Zn2^viii	90.0	Zn1^i—Zn1—Zn1^v	120.0
Zn1^ii—La1—Zn2^viii	133.094 (9)	La1^xiv—Zn1—Zn1^v	60.0
Zn1^iii—La1—Zn2^viii	90.0	La1^xv—Zn1—Zn1^v	180.0
Zn1—La1—Zn2^viii	46.906 (10)	La1—Zn1—Zn1^v	60.0
Zn1^iv—La1—Zn2^viii	133.094 (10)	Zn1^xvi—Zn1—Zn1^v	120.0
Zn1^v—La1—Zn2^viii	46.906 (10)	Zn1—Zn2—Zn1^xvii	180.0
Zn2^vi—La1—Zn2^viii	46.463 (8)	Zn1—Zn2—Zn1^xvi	73.09 (3)
Zn2^vii—La1—Zn2^viii	133.537 (8)	Zn1^xvii—Zn2—Zn1^xvi	106.91 (3)
Zn1^i—La1—Zn2^ix	90.0	Zn1—Zn2—Zn1^xviii	106.91 (3)
Zn1^ii—La1—Zn2^ix	46.906 (9)	Zn1^xvii—Zn2—Zn1^xviii	73.09 (3)
Zn1^iii—La1—Zn2^ix	90.0	Zn1^xvi—Zn2—Zn1^xviii	180.0
Zn1—La1—Zn2^ix	133.094 (10)	Zn1—Zn2—Zn2^xix	121.043 (10)
Zn1^iv—La1—Zn2^ix	46.906 (10)	Zn1^xvii—Zn2—Zn2^xix	58.958 (10)
Zn1^v—La1—Zn2^ix	133.094 (10)	Zn1^xvi—Zn2—Zn2^xix	58.958 (10)
Zn2^vi—La1—Zn2^ix	133.537 (8)	Zn1^xviii—Zn2—Zn2^xix	121.042 (10)
Zn2^vii—La1—Zn2^ix	46.463 (8)	Zn1—Zn2—Zn2^viii	58.957 (10)
Zn2^viii—La1—Zn2^ix	180.0	Zn1^xvii—Zn2—Zn2^viii	121.042 (11)
Zn1^i—La1—Zn2^iv	46.906 (9)	Zn1^xvi—Zn2—Zn2^viii	121.042 (10)
Zn1^ii—La1—Zn2^iv	90.0	Zn1^xviii—Zn2—Zn2^viii	58.958 (10)
Zn1^iii—La1—Zn2^iv	133.094 (9)	Zn2^xix—Zn2—Zn2^viii	180.0
Zn1—La1—Zn2^iv	90.0	Zn1—Zn2—Zn2^xx	121.043 (10)
Zn1^iv—La1—Zn2^iv	46.906 (10)	Zn1^xvii—Zn2—Zn2^xx	58.957 (10)
Zn1^v—La1—Zn2^iv	133.094 (10)	Zn1^xvi—Zn2—Zn2^xx	58.957 (10)
Zn2^vi—La1—Zn2^iv	46.463 (8)	Zn1^xviii—Zn2—Zn2^xx	121.043 (10)
Zn2^vii—La1—Zn2^iv	133.537 (8)	Zn2^xix—Zn2—Zn2^xx	60.0
Zn2^viii—La1—Zn2^iv	86.189 (19)	Zn2^viii—Zn2—Zn2^xx	120.0
Zn2^ix—La1—Zn2^iv	93.811 (19)	Zn1—Zn2—Zn2^vi	58.957 (10)
Zn1^i—La1—Zn2^x	133.094 (9)	Zn1^xvii—Zn2—Zn2^vi	121.043 (10)
Zn1^ii—La1—Zn2^x	90.0	Zn1^xvi—Zn2—Zn2^vi	121.043 (10)
Zn1^iii—La1—Zn2^x	46.906 (9)	Zn1^xviii—Zn2—Zn2^vi	58.957 (10)
Zn1—La1—Zn2^x	90.0	Zn2^xix—Zn2—Zn2^vi	120.0
Zn1^iv—La1—Zn2^x	133.094 (10)	Zn2^viii—Zn2—Zn2^vi	60.0
Zn1^v—La1—Zn2^x	46.906 (10)	Zn2^xx—Zn2—Zn2^vi	180.0
Zn2^vi—La1—Zn2^x	133.537 (8)	Zn1—Zn2—La1^xxi	119.585 (15)
Zn2^vii—La1—Zn2^x	46.463 (8)	Zn1^xvii—Zn2—La1^xxi	60.416 (15)
Zn2^viii—La1—Zn2^x	93.811 (19)	Zn1^xvi—Zn2—La1^xxi	119.585 (15)
Zn2^ix—La1—Zn2^x	86.189 (19)	Zn1^xviii—Zn2—La1^xxi	60.415 (15)
Zn2^iv—La1—Zn2^x	180.0	Zn2^xix—Zn2—La1^xxi	66.768 (4)
Zn2^xi—Zn1—Zn2	145.358 (11)	Zn2^viii—Zn2—La1^xxi	113.232 (4)
Zn2^xi—Zn1—Zn2^viii	106.91 (3)	Zn2^xx—Zn2—La1^xxi	113.232 (4)
Zn2—Zn1—Zn2^viii	62.09 (2)	Zn2^vi—Zn2—La1^xxi	66.768 (4)
Zn2^xi—Zn1—Zn2^xii	62.09 (2)	Zn1—Zn2—La1^xiv	60.415 (15)
Zn2—Zn1—Zn2^xii	106.91 (3)	Zn1^xvii—Zn2—La1^xiv	119.584 (15)
Zn2^viii—Zn1—Zn2^xii	145.358 (11)	Zn1^xvi—Zn2—La1^xiv	60.415 (15)
Zn2^xi—Zn1—Zn2^vi	145.358 (11)	Zn1^xviii—Zn2—La1^xiv	119.585 (15)
Zn2—Zn1—Zn2^vi	62.09 (2)	Zn2^xix—Zn2—La1^xiv	113.232 (5)
Zn2^viii—Zn1—Zn2^vi	62.09 (2)	Zn2^viii—Zn2—La1^xiv	66.768 (4)
Zn2^xii—Zn1—Zn2^vi	145.358 (11)	Zn2^xx—Zn2—La1^xiv	66.768 (5)
Zn2^xi—Zn1—Zn2^xiii	62.09 (2)	Zn2^vi—Zn2—La1^xiv	113.232 (4)
Zn2—Zn1—Zn2^xiii	145.358 (11)	La1^xxi—Zn2—La1^xiv	180.0
Zn2^viii—Zn1—Zn2^xiii	145.358 (11)	Zn1—Zn2—La1^xv	60.415 (15)
Zn2^xii—Zn1—Zn2^xiii	62.09 (2)	Zn1^xvii—Zn2—La1^xv	119.585 (15)
Zn2^vi—Zn1—Zn2^xiii	106.91 (3)	Zn1^xvi—Zn2—La1^xv	60.416 (15)
Zn2^xi—Zn1—Zn1^i	107.321 (6)	Zn1^xviii—Zn2—La1^xv	119.584 (15)
Zn2—Zn1—Zn1^i	107.321 (6)	Zn2^xix—Zn2—La1^xv	66.768 (4)
Zn2^viii—Zn1—Zn1^i	107.321 (6)	Zn2^viii—Zn2—La1^xv	113.232 (4)
Zn2^xii—Zn1—Zn1^i	107.321 (6)	Zn2^xx—Zn2—La1^xv	113.232 (4)
Zn2^vi—Zn1—Zn1^i	53.455 (13)	Zn2^vi—Zn2—La1^xv	66.768 (4)
Zn2^xiii—Zn1—Zn1^i	53.455 (13)	La1^xxi—Zn2—La1^xv	75.84 (3)
Zn2^xi—Zn1—La1^xiv	72.679 (6)	La1^xiv—Zn2—La1^xv	104.16 (3)
Zn2—Zn1—La1^xiv	72.679 (6)	Zn1—Zn2—La1^xxii	119.585 (15)
Zn2^viii—Zn1—La1^xiv	72.679 (6)	Zn1^xvii—Zn2—La1^xxii	60.415 (15)
Zn2^xii—Zn1—La1^xiv	72.679 (6)	Zn1^xvi—Zn2—La1^xxii	119.584 (15)
Zn2^vi—Zn1—La1^xiv	126.545 (13)	Zn1^xviii—Zn2—La1^xxii	60.416 (15)
Zn2^xiii—Zn1—La1^xiv	126.545 (13)	Zn2^xix—Zn2—La1^xxii	113.232 (4)
Zn1^i—Zn1—La1^xiv	180.0	Zn2^viii—Zn2—La1^xxii	66.768 (4)
Zn2^xi—Zn1—La1^xv	126.545 (13)	Zn2^xx—Zn2—La1^xxii	66.768 (4)
Zn2—Zn1—La1^xv	72.679 (6)	Zn2^vi—Zn2—La1^xxii	113.232 (4)
Zn2^viii—Zn1—La1^xv	126.545 (13)	La1^xxi—Zn2—La1^xxii	104.16 (3)
Zn2^xii—Zn1—La1^xv	72.679 (6)	La1^xiv—Zn2—La1^xxii	75.84 (3)
Zn2^vi—Zn1—La1^xv	72.679 (6)	La1^xv—Zn2—La1^xxii	180.0

Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x, −y, −z; (iii) x−1, y−1, z; (iv) x, y−1, z; (v) −x, −y+1, −z; (vi) x−y+1, x, z; (vii) x−y, x−1, z−1; (viii) −y+1, x−y+1, z; (ix) −y+1, x−y, z−1; (x) x−1, y−1, z−1; (xi) −y+1, x−y+1, z−1; (xii) x, y, z−1; (xiii) x−y+1, x, z−1; (xiv) x, y+1, z; (xv) x+1, y+1, z; (xvi) −x+1, −y+2, −z; (xvii) −x+1, −y+2, −z+1; (xviii) x, y, z+1; (xix) −y+2, x−y+2, z; (xx) x−y+1, x+1, z; (xxi) x+1, y+1, z+1; (xxii) x, y+1, z+1.