K2LaCl5

Schurz, C.M.; Schleid, T.; Meyer, G.

doi:10.1107/S1600536810045198

inorganic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 12| December 2010| Page i78

https://doi.org/10.1107/S1600536810045198

Open

access

K₂LaCl₅

Christian M. Schurz,^a Thomas Schleid ^a and Gerd Meyer ^b ^*

^aInstitut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany, and ^bDepartment für Chemie, Institut für Anorganische Chemie, Universität zu Köln, Greinstrasse 6, 50939 Köln, Germany
^*Correspondence e-mail: gerd.meyer@uni-koeln.de

(Received 28 October 2010; accepted 4 November 2010; online 10 November 2010)

The ternary title compound, dipotassium lanthanum pentachloride, K₂LaCl₅, is isotypic with Y₂HfS₅ and various ternary rare-earth metal(III) halides with the general formula A₂MX₅ (A = NH₄, In^I, Na–Cs; M = La–Dy; X = Cl–I). The La³⁺ cations and three of the four symmetry-independent chloride anions are located on a crystallographic mirror plane. The La³⁺ cations are surrounded by seven chloride anions, each in the shape of a monocapped trigonal prism, whereas the coordination spheres of the K⁺ cations exhibit one more cap. Three of the four independent chloride anions reside in a fivefold cationic coordination, leading to distorted square pyramids. The fourth chloride anion has only four cationic neighbours, forming no specific polyhedron.

Related literature

For the U₃Ch₅-type structure (Ch = S and Se) and its relationship to Y₂HfS₅, see: Moseley et al. (1972 ); Potel et al. (1972 ); Jeitschko & Donohue (1975 ). For the low-temperature phase of Yb₅Sb₃, see: Brunton & Steinfink (1971 ). For the series of the ternary rare-earth metal(III) halides with A = NH₄, In^I, Na – Cs; M = La – Dy; X = Cl – I, see: Meyer & Hüttl (1983 ); Meyer et al. (1985 ); Wickleder & Meyer (1995 ).

Experimental

Crystal data

K₂LaCl₅
M_r = 394.36
Orthorhombic, P n m a
a = 12.7402 (8) Å
b = 8.8635 (6) Å
c = 8.0174 (5) Å
V = 905.35 (10) Å³
Z = 4
Mo Kα radiation
μ = 7.02 mm⁻¹
T = 293 K
0.33 × 0.28 × 0.24 mm

Data collection

Stoe IPDS-I diffractometer
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1999 ) T_min = 0.106, T_max = 0.185
12421 measured reflections
1650 independent reflections
872 reflections with I > 2σ(I)
R_int = 0.139

Refinement

R[F² > 2σ(F²)] = 0.059
wR(F²) = 0.142
S = 0.90
1650 reflections
44 parameters
Δρ_max = 1.58 e Å⁻³
Δρ_min = −2.64 e Å⁻³

Table 1
Selected bond lengths (Å)

K—Cl1ⁱ	3.160 (3)
K—Cl2	3.177 (3)
K—Cl1ⁱⁱ	3.206 (3)
K—Cl2ⁱⁱⁱ	3.234 (3)
K—Cl3^iv	3.272 (4)
K—Cl4	3.304 (3)
K—Cl4ⁱⁱⁱ	3.327 (3)
K—Cl3	3.351 (4)
La—Cl3^v	2.812 (3)
La—Cl1ⁱ	2.833 (3)
La—Cl2^vi	2.845 (3)
La—Cl4	2.858 (2)
La—Cl4^vii	2.858 (2)
La—Cl4^viii	2.895 (2)
La—Cl4^ix	2.895 (2)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, y, -z+{\script{3\over 2}}]$ ; (iii) $[-x+{\script{3\over 2}}, -y+1, z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{3\over 2}}, -y+1, z-{\script{1\over 2}}]$ ; (v) x, y, z-1; (vi) $[x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}]$ ; (vii) $[x, -y+{\script{1\over 2}}, z]$ ; (viii) $[-x+1, y-{\script{1\over 2}}, -z]$ ; (ix) -x+1, -y+1, -z.

Data collection: DIF4 (Stoe & Cie, 1992 ); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1992); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810045198/bt5401sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810045198/bt5401Isup2.hkl

checkCIF report

Comment top

The ternary rare-earth metal(III) halide K₂LaCl₅ (Fig. 1) belongs to the A₂MX₅ series (A = NH₄, In, Na – Cs; M = La – Dy; X = Cl – I) (Meyer & Hüttl, 1983; Meyer et al., 1985; Wickleder & Meyer 1995). It can be described as ordered structural variety of U₃Ch₅ (Ch = S and Se) or the low-temperature phase of Yb₅Sb₃, respectively, as anti-isotypical arrangement. While the K⁺ cations have eight contacts to Cl^- anions (Fig. 2), the La³⁺ cations are surrounded by only seven of them. In both cases distorted mono- or bicapped trigonal prisms [LaCl₇]^4– or [KCl₈]^7– originate. For the lanthanum bearing ones they are linked via common edges and form chains, which run along [010] (Fig. 3). Together with the chloride anions (Cl1)^-, (Cl2)^–and (Cl3)^-, La³⁺ occupies the 4c position and shows the site symmetry m, while the (Cl4)^- anion and the K⁺ cation are located at the 8d position with the site symmetry 1.

Related literature top

For the U₃Ch₅-type structure (Ch = S and Se) and its relationship to Y₂HfS₅, see: Moseley et al. (1972); Potel et al. (1972); Jeitschko & Donohue (1975). For the low-temperature phase of Yb₅Sb₃, see: Brunton & Steinfink (1971). For the series of the ternary rare-earth metal(III) halides with A = NH₄, In, Na – Cs; M = La – Dy; X = Cl – I, see: Meyer & Hüttl (1983); Meyer et al. (1985); Wickleder & Meyer (1995).

Experimental top

Colourless, transparent, brick-shaped single crystals of K₂LaCl₅ were obtained as by-product from the reaction of potassium azide (KN₃), lanthanum (La), the corresponding sesquioxide (La₂O₃) and trichloride (LaCl₃) in the presence of KCl as flux with the purpose to synthesize K₂La₄ONCl₉. The mixture was transferred into a torch-sealed, evacuated, fused silica vessel, heated at 1123 K for seven days, followed by cooling to room temperature within 24 h.

Structure description top

For the U₃Ch₅-type structure (Ch = S and Se) and its relationship to Y₂HfS₅, see: Moseley et al. (1972); Potel et al. (1972); Jeitschko & Donohue (1975). For the low-temperature phase of Yb₅Sb₃, see: Brunton & Steinfink (1971). For the series of the ternary rare-earth metal(III) halides with A = NH₄, In, Na – Cs; M = La – Dy; X = Cl – I, see: Meyer & Hüttl (1983); Meyer et al. (1985); Wickleder & Meyer (1995).

Computing details top

Data collection: DIF4 (Stoe & Cie, 1992); cell refinement: DIF4 (Stoe & Cie, 1992); data reduction: REDU4 (Stoe & Cie, 1992); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. Crystal structure of K₂LaCl₅ as viewed along [010].
	Fig. 2. Coordination sphere of the K⁺ cations with the shape of a bicapped trigonal prism. [Symmetry codes: (i) –x+¹/₂, –y + 1, z–¹/₂; (ii) x+¹/₂, y, –z+³/₂; (iii) –x+³/₂, –y + 1, z+¹/₂; (iv) –x+³/₂, –y + 1, z–¹/₂.]
	Fig. 3. View at the chain formed by edge-sharing monocapped trigonal prisms [LaCl₇]^4– with its contacts to the K⁺ cations. Displacement ellipsoids are drawn at 90% probability level.

dipotassium lanthanum pentachloride top

Crystal data top

K₂LaCl₅	F(000) = 720
M_r = 394.36	D_x = 2.893 Mg m⁻³
Orthorhombic, Pnma	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2n	θ = 3.4–33.0°
a = 12.7402 (8) Å	µ = 7.02 mm⁻¹
b = 8.8635 (6) Å	T = 293 K
c = 8.0174 (5) Å	Bricks, colourless
V = 905.35 (10) Å³	0.33 × 0.28 × 0.24 mm
Z = 4

Data collection top

Stoe IPDS-I diffractometer	1650 independent reflections
Radiation source: fine-focus sealed tube	872 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.139
imaging plate detector system scans	θ_max = 33.0°, θ_min = 3.4°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1999)	h = −19→19
T_min = 0.106, T_max = 0.185	k = −11→11
12421 measured reflections	l = −12→12

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.059	w = 1/[σ²(F_o²) + (0.0799P)²] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.142	(Δ/σ)_max = 0.004
S = 0.90	Δρ_max = 1.58 e Å⁻³
1650 reflections	Δρ_min = −2.64 e Å⁻³
44 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), F_c^*=kF_c[1+0.001xF_c²λ³/sin(2θ)]^-1/4
0 restraints	Extinction coefficient: 0.0094 (12)

Crystal data top

K₂LaCl₅	V = 905.35 (10) Å³
M_r = 394.36	Z = 4
Orthorhombic, Pnma	Mo Kα radiation
a = 12.7402 (8) Å	µ = 7.02 mm⁻¹
b = 8.8635 (6) Å	T = 293 K
c = 8.0174 (5) Å	0.33 × 0.28 × 0.24 mm

Data collection top

Stoe IPDS-I diffractometer	1650 independent reflections
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 1999)	872 reflections with I > 2σ(I)
T_min = 0.106, T_max = 0.185	R_int = 0.139
12421 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.059	44 parameters
wR(F²) = 0.142	0 restraints
S = 0.90	Δρ_max = 1.58 e Å⁻³
1650 reflections	Δρ_min = −2.64 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
K	0.67125 (15)	0.4946 (3)	0.5481 (3)	0.0379 (5)
La	0.50680 (5)	0.2500	0.07776 (8)	0.0248 (2)
Cl1	−0.0065 (2)	0.7500	0.9311 (4)	0.0310 (6)
Cl2	0.7911 (2)	0.2500	0.3299 (4)	0.0333 (7)
Cl3	0.6828 (2)	0.2500	0.8662 (4)	0.0374 (8)
Cl4	0.57990 (17)	0.5441 (3)	0.1663 (3)	0.0342 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
K	0.0381 (10)	0.0363 (14)	0.0393 (11)	0.0014 (8)	−0.0014 (7)	−0.0070 (9)
La	0.0286 (3)	0.0234 (4)	0.0222 (3)	0.000	0.0022 (3)	0.000
Cl1	0.0347 (13)	0.0354 (17)	0.0228 (11)	0.000	0.0016 (12)	0.000
Cl2	0.0282 (13)	0.039 (2)	0.0322 (15)	0.000	0.0006 (11)	0.000
Cl3	0.0368 (15)	0.045 (2)	0.0308 (15)	0.000	0.0088 (12)	0.000
Cl4	0.0460 (12)	0.0267 (13)	0.0301 (10)	−0.0030 (9)	−0.0102 (8)	0.0025 (8)

Geometric parameters (Å, º) top

K—Cl1ⁱ	3.160 (3)	La—Cl4^x	2.895 (2)
K—Cl2	3.177 (3)	La—K^vi	4.389 (2)
K—Cl1ⁱⁱ	3.206 (3)	La—K^xi	4.389 (2)
K—Cl2ⁱⁱⁱ	3.234 (3)	Cl1—La^xii	2.833 (3)
K—Cl3^iv	3.272 (4)	Cl1—K^xii	3.160 (3)
K—Cl4	3.304 (3)	Cl1—K^xiii	3.160 (3)
K—Cl4ⁱⁱⁱ	3.327 (3)	Cl1—K^xiv	3.206 (3)
K—Cl3	3.351 (4)	Cl1—K^xv	3.206 (3)
K—K^v	4.336 (5)	Cl2—La^xvi	2.845 (3)
K—La^vi	4.389 (2)	Cl2—K^v	3.177 (3)
K—K^vi	4.432 (4)	Cl2—K^xvii	3.234 (3)
K—Kⁱⁱⁱ	4.4838 (18)	Cl2—K^iv	3.234 (3)
La—Cl3^vii	2.812 (3)	Cl3—La^xviii	2.812 (3)
La—Cl1ⁱ	2.833 (3)	Cl3—Kⁱⁱⁱ	3.272 (4)
La—Cl2^viii	2.845 (3)	Cl3—K^xix	3.272 (3)
La—Cl4	2.858 (2)	Cl3—K^v	3.351 (4)
La—Cl4^v	2.858 (2)	Cl4—La^x	2.895 (2)
La—Cl4^ix	2.895 (2)	Cl4—K^iv	3.327 (3)

Cl1ⁱ—K—Cl2	71.80 (8)	Cl3^vii—La—Cl4	83.68 (6)
Cl1ⁱ—K—Cl1ⁱⁱ	91.76 (5)	Cl1ⁱ—La—Cl4	75.64 (5)
Cl2—K—Cl1ⁱⁱ	148.21 (10)	Cl2^viii—La—Cl4	104.48 (5)
Cl1ⁱ—K—Cl2ⁱⁱⁱ	141.81 (10)	Cl3^vii—La—Cl4^v	83.68 (6)
Cl2—K—Cl2ⁱⁱⁱ	142.29 (7)	Cl1ⁱ—La—Cl4^v	75.64 (5)
Cl1ⁱⁱ—K—Cl2ⁱⁱⁱ	64.80 (8)	Cl2^viii—La—Cl4^v	104.48 (5)
Cl1ⁱ—K—Cl3^iv	136.03 (10)	Cl4—La—Cl4^v	131.62 (9)
Cl2—K—Cl3^iv	87.34 (7)	Cl3^vii—La—Cl4^ix	84.06 (7)
Cl1ⁱⁱ—K—Cl3^iv	86.34 (8)	Cl1ⁱ—La—Cl4^ix	132.50 (6)
Cl2ⁱⁱⁱ—K—Cl3^iv	75.11 (8)	Cl2^viii—La—Cl4^ix	78.89 (7)
Cl1ⁱ—K—Cl4	65.30 (7)	Cl4—La—Cl4^ix	150.15 (6)
Cl2—K—Cl4	75.52 (8)	Cl4^v—La—Cl4^ix	73.58 (7)
Cl1ⁱⁱ—K—Cl4	72.88 (8)	Cl3^vii—La—Cl4^x	84.06 (7)
Cl2ⁱⁱⁱ—K—Cl4	127.34 (10)	Cl1ⁱ—La—Cl4^x	132.50 (6)
Cl3^iv—K—Cl4	72.27 (8)	Cl2^viii—La—Cl4^x	78.89 (7)
Cl1ⁱ—K—Cl4ⁱⁱⁱ	130.30 (10)	Cl4—La—Cl4^x	73.58 (7)
Cl2—K—Cl4ⁱⁱⁱ	68.18 (8)	Cl4^v—La—Cl4^x	150.15 (6)
Cl1ⁱⁱ—K—Cl4ⁱⁱⁱ	136.98 (9)	Cl4^ix—La—Cl4^x	78.15 (9)
Cl2ⁱⁱⁱ—K—Cl4ⁱⁱⁱ	74.46 (8)	Cl3^vii—La—K^vi	145.53 (4)
Cl3^iv—K—Cl4ⁱⁱⁱ	69.93 (8)	Cl1ⁱ—La—K^vi	46.84 (5)
Cl4—K—Cl4ⁱⁱⁱ	127.83 (9)	Cl2^viii—La—K^vi	47.41 (5)
Cl1ⁱ—K—Cl3	79.12 (8)	Cl4—La—K^vi	61.85 (6)
Cl2—K—Cl3	87.50 (8)	Cl4^v—La—K^vi	117.97 (6)
Cl1ⁱⁱ—K—Cl3	116.64 (9)	Cl4^ix—La—K^vi	126.15 (5)
Cl2ⁱⁱⁱ—K—Cl3	85.10 (7)	Cl4^x—La—K^vi	86.55 (6)
Cl3^iv—K—Cl3	139.63 (8)	Cl3^vii—La—K^xi	145.53 (4)
Cl4—K—Cl3	143.76 (10)	Cl1ⁱ—La—K^xi	46.84 (5)
Cl4ⁱⁱⁱ—K—Cl3	71.00 (8)	Cl2^viii—La—K^xi	47.41 (5)
Cl1ⁱ—K—K^v	46.68 (5)	Cl4—La—K^xi	117.97 (6)
Cl2—K—K^v	46.96 (6)	Cl4^v—La—K^xi	61.85 (6)
Cl1ⁱⁱ—K—K^v	134.91 (5)	Cl4^ix—La—K^xi	86.55 (6)
Cl2ⁱⁱⁱ—K—K^v	134.42 (6)	Cl4^x—La—K^xi	126.15 (6)
Cl3^iv—K—K^v	133.77 (6)	K^vi—La—K^xi	62.09 (7)
Cl4—K—K^v	97.63 (6)	La^xii—Cl1—K^xii	107.21 (8)
Cl4ⁱⁱⁱ—K—K^v	84.07 (6)	La^xii—Cl1—K^xiii	107.21 (8)
Cl3—K—K^v	49.68 (5)	K^xii—Cl1—K^xiii	86.64 (11)
Cl1ⁱ—K—La^vi	102.32 (7)	La^xii—Cl1—K^xiv	93.04 (7)
Cl2—K—La^vi	167.59 (9)	K^xii—Cl1—K^xiv	159.73 (10)
Cl1ⁱⁱ—K—La^vi	40.13 (5)	K^xiii—Cl1—K^xiv	88.24 (5)
Cl2ⁱⁱⁱ—K—La^vi	40.37 (6)	La^xii—Cl1—K^xv	93.04 (7)
Cl3^iv—K—La^vi	103.97 (7)	K^xii—Cl1—K^xv	88.24 (5)
Cl4—K—La^vi	112.49 (7)	K^xiii—Cl1—K^xv	159.73 (10)
Cl4ⁱⁱⁱ—K—La^vi	110.55 (6)	K^xiv—Cl1—K^xv	89.82 (11)
Cl3—K—La^vi	80.57 (6)	La^xvi—Cl2—K^v	108.72 (9)
K^v—K—La^vi	121.04 (3)	La^xvi—Cl2—K	108.72 (9)
Cl1ⁱ—K—K^vi	46.30 (6)	K^v—Cl2—K	86.07 (11)
Cl2—K—K^vi	113.09 (10)	La^xvi—Cl2—K^xvii	92.22 (8)
Cl1ⁱⁱ—K—K^vi	45.45 (6)	K^v—Cl2—K^xvii	88.75 (3)
Cl2ⁱⁱⁱ—K—K^vi	104.62 (9)	K—Cl2—K^xvii	159.00 (11)
Cl3^iv—K—K^vi	117.84 (10)	La^xvi—Cl2—K^iv	92.22 (8)
Cl4—K—K^vi	59.28 (6)	K^v—Cl2—K^iv	159.00 (11)
Cl4ⁱⁱⁱ—K—K^vi	171.90 (11)	K—Cl2—K^iv	88.75 (3)
Cl3—K—K^vi	100.93 (9)	K^xvii—Cl2—K^iv	88.84 (11)
K^v—K—K^vi	91.23 (7)	La^xviii—Cl3—Kⁱⁱⁱ	100.62 (8)
La^vi—K—K^vi	66.36 (5)	La^xviii—Cl3—K^xix	100.62 (8)
Cl1ⁱ—K—Kⁱⁱⁱ	125.25 (10)	Kⁱⁱⁱ—Cl3—K^xix	87.54 (11)
Cl2—K—Kⁱⁱⁱ	106.95 (10)	La^xviii—Cl3—K	115.09 (9)
Cl1ⁱⁱ—K—Kⁱⁱⁱ	104.75 (8)	Kⁱⁱⁱ—Cl3—K	85.21 (4)
Cl2ⁱⁱⁱ—K—Kⁱⁱⁱ	45.10 (6)	K^xix—Cl3—K	144.27 (10)
Cl3^iv—K—Kⁱⁱⁱ	97.44 (9)	La^xviii—Cl3—K^v	115.10 (9)
Cl4—K—Kⁱⁱⁱ	169.44 (11)	Kⁱⁱⁱ—Cl3—K^v	144.27 (10)
Cl4ⁱⁱⁱ—K—Kⁱⁱⁱ	47.24 (6)	K^xix—Cl3—K^v	85.21 (4)
Cl3—K—Kⁱⁱⁱ	46.65 (6)	K—Cl3—K^v	80.64 (10)
K^v—K—Kⁱⁱⁱ	91.22 (6)	La—Cl4—La^x	106.42 (7)
La^vi—K—Kⁱⁱⁱ	67.00 (4)	La—Cl4—K	102.93 (8)
K^vi—K—Kⁱⁱⁱ	126.56 (8)	La^x—Cl4—K	147.62 (10)
Cl3^vii—La—Cl1ⁱ	127.18 (9)	La—Cl4—K^iv	98.37 (8)
Cl3^vii—La—Cl2^viii	157.97 (10)	La^x—Cl4—K^iv	103.65 (8)
Cl1ⁱ—La—Cl2^viii	74.85 (9)	K—Cl4—K^iv	85.10 (6)

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

Experimental details

Crystal data
Chemical formula	K₂LaCl₅
M_r	394.36
Crystal system, space group	Orthorhombic, Pnma
Temperature (K)	293
a, b, c (Å)	12.7402 (8), 8.8635 (6), 8.0174 (5)
V (Å³)	905.35 (10)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	7.02
Crystal size (mm)	0.33 × 0.28 × 0.24

Data collection
Diffractometer	Stoe IPDS-I
Absorption correction	Numerical (X-SHAPE; Stoe & Cie, 1999)
T_min, T_max	0.106, 0.185
No. of measured, independent and observed [I > 2σ(I)] reflections	12421, 1650, 872
R_int	0.139
(sin θ/λ)_max (Å⁻¹)	0.766

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.059, 0.142, 0.90
No. of reflections	1650
No. of parameters	44
Δρ_max, Δρ_min (e Å⁻³)	1.58, −2.64

Computer programs: DIF4 (Stoe & Cie, 1992), REDU4 (Stoe & Cie, 1992), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2006).

Selected bond lengths (Å) top

K—Cl1ⁱ	3.160 (3)	La—Cl3^v	2.812 (3)
K—Cl2	3.177 (3)	La—Cl1ⁱ	2.833 (3)
K—Cl1ⁱⁱ	3.206 (3)	La—Cl2^vi	2.845 (3)
K—Cl2ⁱⁱⁱ	3.234 (3)	La—Cl4	2.858 (2)
K—Cl3^iv	3.272 (4)	La—Cl4^vii	2.858 (2)
K—Cl4	3.304 (3)	La—Cl4^viii	2.895 (2)
K—Cl4ⁱⁱⁱ	3.327 (3)	La—Cl4^ix	2.895 (2)
K—Cl3	3.351 (4)

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

Acknowledgements

Financial support by the state of Baden-Württemberg (Stuttgart) and the Deutsche Forschungsgemeinschaft is gratefully acknowledged. Furthermore our thanks go to Dr Falk Lissner for the data collection.

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
Brunton, G. D. & Steinfink, H. (1971). Inorg. Chem. 10, 2301–2303. CrossRef CAS Web of Science Google Scholar
Jeitschko, W. & Donohue, P. C. (1975). Acta Cryst. B31, 1890–1895. CrossRef CAS IUCr Journals Web of Science Google Scholar
Meyer, G. & Hüttl, E. (1983). Z. Anorg. Allg. Chem. 497, 191–198. CrossRef CAS Web of Science Google Scholar
Meyer, G., Soose, J., Moritz, A., Vitt, V. & Holljes, Th. (1985). Z. Anorg. Allg. Chem. 521, 161–172. CrossRef CAS Web of Science Google Scholar
Moseley, P. T., Brown, D. & Whittaker, B. (1972). Acta Cryst. B28, 1816–1821. CrossRef CAS IUCr Journals Web of Science Google Scholar
Potel, M., Brochu, R., Padiou, J. & Grandjean, D. (1972). C. R. Acad. Sci. Paris, 275, 1419–1421. CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Stoe & Cie (1992). DIF4 and REDU4. Stoe & Cie, Darmstadt, Germany. Google Scholar
Stoe & Cie (1999). X-SHAPE. Stoe & Cie, Darmstadt, Germany. Google Scholar
Wickleder, M. S. & Meyer, G. (1995). Z. Anorg. Allg. Chem. 621, 740–742. CrossRef CAS Web of Science Google Scholar