RbGd2CuS4

inorganic papers

Acta Cryst.(2004). E60, i95±i96 DOI: 10.1107/S1600536804016460 Yao and Ibers RbGd₂CuS₄

i95

Structure Reports Online

ISSN 1600-5368

RbGd

CuS

Jiyong Yao and James A. Ibers*

Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208-3113, USA

Correspondence e-mail: ibers@chem.northwestern.edu

Key indicators

Single-crystal X-ray study

T= 153 K

Mean(Cu±S) = 0.001 AÊ

Rfactor = 0.020

wRfactor = 0.058

Data-to-parameter ratio = 18.2

For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

#2004 International Union of Crystallography Printed in Great Britain ± all rights reserved

Rubidium digadolinium copper tetrasul®de, RbGd2CuS4,

crystallizes in the orthorhombic space group Cmcm and is

isostructural with KGd2CuS4. The structure has a

three-dimensional tunnel framework, with tunnels built from GdS6

octahedra and CuS4tetrahedra. These tunnels are ®lled with Rb atoms.

Comment

Ternary and quaternary rare-earth chalcogenides containing a

combination ofdandfelements have been reviewed recently

(Mitchell & Ibers, 2002). We report here the structure of RbGd2CuS4, a new member of this large family.

RbGd2CuS4, which has the KGd2CuS4structure type (Stoll

et al., 1998), crystallizes in space group Cmcm of the ortho-rhombic system. The site symmetries of the atoms in the asymmetric unit (Fig. 1) are: S3 (2/m); Rb, Cu and S1 (mm); Gd and S2 (m). The structure of RbGd2CuS4is shown in Fig. 2. It has a three-dimensional tunnel framework built from GdS6 octahedra and CuS4tetrahedra. The tunnel, comprising a ten-membered ring of four CuÐS bonds and six GdÐS bonds, is only large enough in cross section to accommodate one Rb atom. Each Rb atom is coordinated to a bicapped trigonal prism of eight S atoms, with RbÐS distances ranging from 3.193 (1) to 3.7557 (4) AÊ, comparable to those of 3.247 (2) to 3.7951 (4) AÊ in RbNd2CuS4(Huang & Ibers, 2000). The GdÐ S distances range from 2.7259 (6) to 2.8500 (2) AÊ, consistent with those of 2.697 (1) to 2.8437 (2) AÊ in Rb2Gd4Cu4S9 (Huang & Ibers, 2000), and the CuÐS distances are 2.346 (1) and 2.361 (1) AÊ, comparable to those of 2.3530 (9) and 2.4025 (8) AÊ in KNd2CuS4(Yaoet al., 2003).

Experimental

RbGd2CuS4was obtained as red blocks from a solid-state reaction of

Rb2S3 (1.2 mmol), Gd (1.0 mmol, Aldrich, 99%), Cu (0.5 mmol,

Received 28 June 2004 Accepted 6 July 2004 Online 17 July 2004

Figure 1

The atoms in the asymmetric unit of RbGd2CuS4, with displacement

Aldrich, 99.999%) and S (2.0 mmol, Aldrich, 99.5%). The Rb2S3

reactive ¯ux (Sunshine et al., 1987) was prepared by the stoichio-metric reaction of Rb (Aldrich, 98+%) and S in liquid NH3. The

reactants were loaded into a fused-silica tube under an Ar atmo-sphere in a glove box. The tube was sealed under a 10ÿ4_Torr

atmosphere and then placed in a computer-controlled furnace. The sample was heated to 1173 K over a period of 25 h, kept at 1173 K for 3 d, slowly cooled at 10 K hÿ1 _{to 473 K and then cooled to room}

temperature.

Crystal data

RbGd2CuS4

Mr= 591.75

Orthorhombic,Cmcm a= 4.0030 (3) AÊ b= 13.7095 (10) AÊ c= 13.8146 (10) AÊ V= 758.13 (10) AÊ3

Z= 4

Dx= 5.184 Mg mÿ3

MoKradiation Cell parameters from 4160

re¯ections

= 3.0±28.3

= 27.44 mmÿ1

T= 153 (2) K Block, red

0.250.160.12 mm

Data collection

Bruker SMART 1000 CCD diffractometer

!scans

Absorption correction: numerical face-indexed (SHELXTL; Sheldrick, 2003) Tmin= 0.012,Tmax= 0.122

4276 measured re¯ections

546 independent re¯ections 542 re¯ections withI> 2(I) Rint= 0.048

max= 28.3

h=ÿ5!5 k=ÿ17!18 l=ÿ18!18

Re®nement

Re®nement onF2

R[F2_{> 2(F}2_{)] = 0.020}

wR(F2_{) = 0.058}

S= 1.40 546 re¯ections 30 parameters

w= 1/[2_(F

o2) + (0.03P)2]

whereP= (Fo2+ 2Fc2)/3

(/)max< 0.001 max= 1.40 e AÊÿ3 min=ÿ1.20 e AÊÿ3

Extinction correction:SHELXL97 Extinction coef®cient: 0.0049 (3)

Table 1

Selected geometric parameters (AÊ,_).

GdÐS1 2.7259 (6) GdÐS2i _{2.7348 (8)}

GdÐS2ii _{2.7688 (11)}

GdÐS3iii _{2.8500 (2)}

RbÐS1iv _{3.1928 (14)}

RbÐS2v _{3.3160 (9)}

RbÐS3 3.7557 (4) CuÐS2vi _{2.3460 (11)}

CuÐS1iii _{2.3612 (11)}

S1ÐGdÐS2i _{87.98 (3)}

S2i_ÐGdÐS2vii _{94.09 (3)}

S1ÐGdÐS2ii _{166.52 (4)}

S2i_ÐGdÐS2ii _{82.86 (3)}

S2i_ÐGdÐS3iii _{176.13 (2)}

S2ii_ÐGdÐS3iii _{94.396 (18)}

S1ÐGdÐS3viii _{95.19 (3)}

S2i_ÐGdÐS3viii _{88.267 (18)}

S3iii_ÐGdÐS3viii _{89.221 (8)}

S2vi_ÐCuÐS2ix _{111.60 (6)}

S2vi_ÐCuÐS1iii _{107.35 (2)}

S1iii_ÐCuÐS1viii _{115.92 (8)} Symmetry codes: (i) ÿ1

2ÿx;12ÿy;zÿ12; (ii) x;y;12ÿz; (iii) 12‡x;12‡y;z; (iv)

xÿ1

2;yÿ12;z; (v)12ÿx;12ÿy;1ÿz; (vi)ÿx;1ÿy;zÿ12; (vii)12ÿx;12ÿy;zÿ12; (viii)

xÿ1

2;12‡y;z; (ix)ÿx;1ÿy;1ÿz.

The maximim and minimum residual electron densities are located 0.96 and 1.27 AÊ from atoms Gd and Cu, respectively.

Data collection:SMART(Bruker, 2003); cell re®nement: SAINT-Plus(Bruker, 2003); data reduction:SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2003); program(s) used to re®ne structure:SHELXTL; molecular graphics:XPinSHELXTL; software used to prepare material for publication:SHELXTL.

This research was supported by the MRSEC program of the National Science Foundation (DMR00-76097) at the Materials Research Center of Northwestern University.

References

Bruker (2003). SMART(Version 5.054) and SAINT-Plus (Version 6.45). Bruker AXS Inc., Madison, Wisconsin, USA.

Huang, F. Q. & Ibers, J. A. (2000).J. Solid State Chem.151, 317±322. Mitchell, K. & Ibers, J. A. (2002).Chem. Rev.102, 1929±1952.

Sheldrick, G. M. (2003).SHELXTLDOS/Windows/NT. Version 6.14. Bruker AXS Inc., Madison, Wisconsin, USA.

Stoll, P., DuÈrichen, P., NaÈther, C. & Bensch, W. (1998).Z. Anorg. Allg. Chem.

624, 1807±1810.

Sunshine, S. A., Kang, D. & Ibers, J. A. (1987).J. Am. Chem. Soc.109, 6202± 6204.

Yao, J., Deng, B., Ellis, D. E. & Ibers, J. A. (2003).J. Solid State Chem.176, 5±12.

Figure 2

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Acta Cryst. (2004). E60, i95–i96

supporting information

Acta Cryst. (2004). E60, i95–i96 [https://doi.org/10.1107/S1600536804016460]

RbGd

CuS

Jiyong Yao and James A. Ibers

Rubidium digadolinium copper tetrasulfide

Crystal data

RbGd2CuS4

Mr = 591.75

Orthorhombic, Cmcm

Hall symbol: -C 2c 2

a = 4.0030 (3) Å

b = 13.7095 (10) Å

c = 13.8146 (10) Å

V = 758.13 (10) Å3

Z = 4

F(000) = 1032

Dx = 5.184 Mg m−3

Mo Kα radiation, λ = 0.71073 Å Cell parameters from 4160 reflections

θ = 3.0–28.3°

µ = 27.44 mm−1

T = 153 K Plate, red

0.25 × 0.16 × 0.12 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Radiation source: fine-focus sealed tube Graphite monochromator

ω scans

Absorption correction: numerical

face indexed (SHELXTL; Sheldrick, 2003)

Tmin = 0.012, Tmax = 0.122

4276 measured reflections 546 independent reflections 542 reflections with I > 2σ(I)

Rint = 0.048

θmax = 28.3°, θmin = 3.0°

h = −5→5

k = −17→18

l = −18→18

Refinement

Refinement on F2 Least-squares matrix: full

R[F2 _{> 2σ(F}2_{)] = 0.020}

wR(F2_{) = 0.058}

S = 1.40 546 reflections 30 parameters 0 restraints

Primary atom site location: structure-invariant direct methods

Secondary atom site location: difference Fourier map

w = 1/[σ2_(F

o2) + (0.030P)2] where P = (Fo2 + 2Fc2)/3 (Δ/σ)max < 0.001

Δρmax = 1.40 e Å−3 Δρmin = −1.20 e Å−3

Extinction correction: SHELXL97, Fc*_{=kFc[1+0.001xFc}2_λ3_/sin(2θ)]-1/4 Extinction coefficient: 0.0049 (3)

Special details

Refinement. Refinement of F2 _{against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F}2_, conventional R-factors R are based on F, with F set to zero for negative F2_{. The threshold expression of F}2 _{> σ(F}2_{) 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₎

x y z Uiso*/Ueq

Gd 0.0000 0.365836 (16) 0.061990 (17) 0.00771 (17)

Rb 0.0000 0.10763 (5) 0.2500 0.0112 (2)

Cu 0.0000 0.83481 (6) 0.2500 0.0102 (2)

S1 0.0000 0.42618 (12) 0.2500 0.0085 (3)

S2 0.0000 0.26137 (8) 0.60954 (8) 0.0086 (3)

S3 0.0000 0.0000 0.0000 0.0101 (3)

Atomic displacement parameters (Å2₎

U11 _U22 _U33 _U12 _U13 _U23

Gd 0.0068 (2) 0.0103 (2) 0.0061 (2) 0.000 0.000 0.00004 (6)

Rb 0.0091 (4) 0.0119 (4) 0.0125 (4) 0.000 0.000 0.000

Cu 0.0101 (4) 0.0124 (5) 0.0081 (4) 0.000 0.000 0.000

S1 0.0070 (8) 0.0127 (7) 0.0059 (7) 0.000 0.000 0.000

S2 0.0078 (5) 0.0108 (5) 0.0072 (5) 0.000 0.000 0.0005 (4)

S3 0.0077 (7) 0.0131 (8) 0.0094 (8) 0.000 0.000 0.0018 (6)

Geometric parameters (Å, º)

Gd—S1 2.7259 (6) Cu—S1iv _{2.3612 (11)}

Gd—S2i _{2.7348 (8) Cu—S1}v _{2.3612 (11)}

Gd—S2ii _{2.7348 (8) Cu—Gd}xvii _{3.3065 (3)}

Gd—S2iii _{2.7688 (11) Cu—Gd}v _{3.3065 (3)}

Gd—S3iv _{2.8500 (2) Cu—Gd}xviii _{3.3065 (3)}

Gd—S3v _{2.8500 (2) Cu—Gd}iv _{3.3065 (3)}

Gd—Cuvi _{3.3065 (3) Cu—Rb}v _{3.7021 (9)}

Gd—Cuvii _{3.3065 (3) Cu—Rb}iv _{3.7021 (9)}

Gd—Gdviii _{4.0030 (3) Cu—Rb}xix _{3.7403 (11)}

Gd—Gdix _{4.0030 (3) S1—Cu}vii _{2.3612 (11)}

Gd—Gdx _{4.0578 (5) S1—Cu}vi _{2.3612 (11)}

Gd—Rb 4.3905 (6) S1—Gdiii _{2.7259 (6)}

Rb—S1vii _{3.1928 (14) S1—Rb}iv _{3.1929 (14)}

Rb—S1vi _{3.1928 (14) S1—Rb}v _{3.1929 (14)}

Rb—S2xi _{3.3160 (9) S2—Cu}xvi _{2.3460 (11)}

Rb—S2i _{3.3160 (9) S2—Gd}xx _{2.7348 (8)}

Rb—S2ii _{3.3160 (9) S2—Gd}xxi _{2.7348 (8)}

Rb—S2xii _{3.3160 (9) S2—Gd}iii _{2.7688 (11)}

Rb—Cuvi _{3.7022 (9) S2—Rb}xi _{3.3161 (9)}

Rb—Cuvii _{3.7021 (9) S2—Rb}xii _{3.3161 (9)}

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Acta Cryst. (2004). E60, i95–i96

Rb—S3 3.7557 (4) S3—Gdvii _{2.8500 (2)}

Rb—S3xiv _{3.7557 (4) S3—Gd}xxiii _{2.8500 (2)}

Rb—Rbviii _{4.0030 (3) S3—Gd}vi _{2.8500 (2)}

Cu—S2xv _{2.3460 (11) S3—Rb}xxiv _{3.7557 (4)}

Cu—S2xvi _{2.3460 (11)}

S1—Gd—S2i _{87.98 (3) S2}xii_—Rb—S3xiv _{71.016 (19)}

S1—Gd—S2ii _{87.98 (3) Cu}vi_—Rb—S3xiv _{109.301 (7)}

S2i_—Gd—S2ii _{94.09 (3) Cu}vii_—Rb—S3xiv _{109.301 (7)}

S1—Gd—S2iii _{166.52 (4) Cu}xiii_—Rb—S3xiv _{66.865 (10)}

S2i_—Gd—S2iii _{82.86 (3) S3—Rb—S3}xiv _{133.730 (19)}

S2ii_—Gd—S2iii _{82.86 (3) S1}vii_—Rb—Rbviii _{128.82 (2)}

S1—Gd—S3iv _{95.19 (3) S1}vi_—Rb—Rbviii _{51.18 (2)}

S2i_—Gd—S3iv _{176.13 (2) S2}xi_—Rb—Rbviii _{52.873 (12)}

S2ii_—Gd—S3iv _{88.267 (18) S2}i_—Rb—Rbviii _{127.127 (12)}

S2iii_—Gd—S3iv _{94.396 (18) S2}ii_—Rb—Rbviii _{52.873 (12)}

S1—Gd—S3v _{95.19 (3) S2}xii_—Rb—Rbviii _{127.127 (12)}

S2i_—Gd—S3v _{88.267 (18) Cu}vi_—Rb—Rbviii _{57.273 (10)}

S2ii_—Gd—S3v _{176.13 (2) Cu}vii_—Rb—Rbviii _{122.726 (10)}

S2iii_—Gd—S3v _{94.396 (18) Cu}xiii_—Rb—Rbviii _90.0

S3iv_—Gd—S3v _{89.221 (8) S3—Rb—Rb}viii _90.0

S1—Gd—Cuvi _{44.81 (2) S3}xiv_—Rb—Rbviii _90.0

S2i_—Gd—Cuvi _{99.92 (2) S2}xv_—Cu—S2xvi _{111.60 (6)}

S2ii_—Gd—Cuvi _{44.46 (2) S2}xv_—Cu—S1iv _{107.35 (2)}

S2iii_—Gd—Cuvi _{127.282 (19) S2}xvi_—Cu—S1iv _{107.35 (2)}

S3iv_—Gd—Cuvi _{83.912 (11) S2}xv_—Cu—S1v _{107.35 (2)}

S3v_—Gd—Cuvi _{138.088 (15) S2}xvi_—Cu—S1v _{107.35 (2)}

S1—Gd—Cuvii _{44.81 (2) S1}iv_—Cu—S1v _{115.92 (8)}

S2i_—Gd—Cuvii _{44.46 (2) S2}xv_—Cu—Gdxvii _{136.22 (2)}

S2ii_—Gd—Cuvii _{99.92 (2) S2}xvi_—Cu—Gdxvii _{54.734 (19)}

S2iii_—Gd—Cuvii _{127.282 (19) S1}iv_—Cu—Gdxvii _{54.453 (10)}

S3iv_—Gd—Cuvii _{138.088 (15) S1}v_—Cu—Gdxvii _{116.41 (3)}

S3v_—Gd—Cuvii _{83.912 (11) S2}xv_—Cu—Gdv _{54.734 (19)}

Cuvi_—Gd—Cuvii _{74.505 (8) S2}xvi_—Cu—Gdv _{136.22 (2)}

S1—Gd—Gdviii _{90.0 S1}iv_—Cu—Gdv _{116.41 (3)}

S2i_—Gd—Gdviii _{137.043 (17) S1}v_—Cu—Gdv _{54.453 (10)}

S2ii_—Gd—Gdviii _{42.957 (17) Gd}xvii_—Cu—Gdv _{165.22 (3)}

S2iii_—Gd—Gdviii _{90.0 S2}xv_—Cu—Gdxviii _{136.22 (2)}

S3iv_—Gd—Gdviii _{45.389 (4) S2}xvi_—Cu—Gdxviii _{54.734 (19)}

S3v_—Gd—Gdviii _{134.610 (4) S1}iv_—Cu—Gdxviii _{116.41 (3)}

Cuvi_—Gd—Gdviii _{52.748 (4) S1}v_—Cu—Gdxviii _{54.453 (10)}

Cuvii_—Gd—Gdviii _{127.253 (5) Gd}xvii_—Cu—Gdxviii _{74.504 (8)}

S1—Gd—Gdix _{90.0 Gd}v_—Cu—Gdxviii _{103.536 (9)}

S2i_—Gd—Gdix _{42.957 (17) S2}xv_—Cu—Gdiv _{54.734 (19)}

S2ii_—Gd—Gdix _{137.043 (17) S2}xvi_—Cu—Gdiv _{136.22 (2)}

S2iii_—Gd—Gdix _{90.0 S1}iv_—Cu—Gdiv _{54.453 (10)}

S3iv_—Gd—Gdix _{134.610 (4) S1}v_—Cu—Gdiv _{116.41 (3)}

Cuvi_—Gd—Gdix _{127.253 (4) Gd}v_—Cu—Gdiv _{74.504 (8)}

Cuvii_—Gd—Gdix _{52.748 (4) Gd}xviii_—Cu—Gdiv _{165.22 (3)}

Gdviii_—Gd—Gdix _{180.0 S2}xv_—Cu—Rbv _{61.78 (3)}

S1—Gd—Gdx _{97.30 (4) S2}xvi_—Cu—Rbv _{61.78 (3)}

S2i_—Gd—Gdx _{132.805 (17) S1}iv_—Cu—Rbv _{154.77 (5)}

S2ii_—Gd—Gdx _{132.805 (17) S1}v_—Cu—Rbv _{89.32 (4)}

S2iii_—Gd—Gdx _{96.18 (2) Gd}xvii_—Cu—Rbv _{115.816 (18)}

S3iv_—Gd—Gdx _{44.610 (4) Gd}v_—Cu—Rbv _{77.348 (11)}

S3v_—Gd—Gdx _{44.610 (4) Gd}xviii_—Cu—Rbv _{77.348 (11)}

Cuvi_—Gd—Gdx _{116.627 (16) Gd}iv_—Cu—Rbv _{115.816 (18)}

Cuvii_—Gd—Gdx _{116.627 (16) S2}xv_—Cu—Rbiv _{61.78 (3)}

Gdviii_—Gd—Gdx _{90.0 S2}xvi_—Cu—Rbiv _{61.78 (3)}

Gdix_—Gd—Gdx _{90.0 S1}iv_—Cu—Rbiv _{89.32 (4)}

S1—Gd—Rb 71.40 (3) S1v_—Cu—Rbiv _{154.77 (5)}

S2i_{—Gd—Rb 48.985 (18) Gd}xvii_—Cu—Rbiv _{77.348 (11)}

S2ii_{—Gd—Rb 48.985 (18) Gd}v_—Cu—Rbiv _{115.816 (18)}

S2iii_{—Gd—Rb 95.12 (2) Gd}xviii_—Cu—Rbiv _{115.816 (18)}

S3iv_{—Gd—Rb 134.274 (5) Gd}iv_—Cu—Rbiv _{77.348 (11)}

S3v_{—Gd—Rb 134.274 (5) Rb}v_—Cu—Rbiv _{65.454 (19)}

Cuvi_{—Gd—Rb 55.361 (15) S2}xv_—Cu—Rbxix _{124.20 (3)}

Cuvii_{—Gd—Rb 55.361 (15) S2}xvi_—Cu—Rbxix _{124.20 (3)}

Gdviii_{—Gd—Rb 90.0 S1}iv_—Cu—Rbxix _{57.96 (4)}

Gdix_{—Gd—Rb 90.0 S1}v_—Cu—Rbxix _{57.96 (4)}

Gdx_{—Gd—Rb 168.698 (10) Gd}xvii_—Cu—Rbxix _{82.608 (15)}

S1vii_—Rb—S1vi _{77.64 (4) Gd}v_—Cu—Rbxix _{82.608 (15)}

S1vii_—Rb—S2xi _{143.16 (2) Gd}xviii_—Cu—Rbxix _{82.608 (15)}

S1vi_—Rb—S2xi _{92.50 (2) Gd}iv_—Cu—Rbxix _{82.608 (15)}

S1vii_—Rb—S2i _{92.50 (2) Rb}v_—Cu—Rbxix _{147.273 (10)}

S1vi_—Rb—S2i _{143.16 (2) Rb}iv_—Cu—Rbxix _{147.273 (10)}

S2xi_—Rb—S2i _{114.42 (4) Cu}vii_—S1—Cuvi _{115.92 (8)}

S1vii_—Rb—S2ii _{143.16 (2) Cu}vii_{—S1—Gd 80.73 (3)}

S1vi_—Rb—S2ii _{92.50 (2) Cu}vi_{—S1—Gd 80.73 (3)}

S2xi_—Rb—S2ii _{71.63 (4) Cu}vii_—S1—Gdiii _{80.73 (3)}

S2i_—Rb—S2ii _{74.25 (2) Cu}vi_—S1—Gdiii _{80.73 (3)}

S1vii_—Rb—S2xii _{92.50 (2) Gd—S1—Gd}iii _{144.66 (7)}

S1vi_—Rb—S2xii _{143.16 (2) Cu}vii_—S1—Rbiv _{160.86 (6)}

S2xi_—Rb—S2xii _{74.25 (2) Cu}vi_—S1—Rbiv _{83.22 (3)}

S2i_—Rb—S2xii _{71.63 (3) Gd—S1—Rb}iv _{103.68 (2)}

S2ii_—Rb—S2xii _{114.42 (4) Gd}iii_—S1—Rbiv _{103.68 (2)}

S1vii_—Rb—Cuvi _{173.91 (2) Cu}vii_—S1—Rbv _{83.22 (3)}

S1vi_—Rb—Cuvi _{108.45 (2) Cu}vi_—S1—Rbv _{160.86 (6)}

S2xi_—Rb—Cuvi _{38.564 (19) Gd—S1—Rb}v _{103.68 (2)}

S2i_—Rb—Cuvi _{82.57 (2) Gd}iii_—S1—Rbv _{103.68 (2)}

S2ii_—Rb—Cuvi _{38.564 (19) Rb}iv_—S1—Rbv _{77.64 (4)}

S2xii_—Rb—Cuvi _{82.57 (2) Cu}xvi_—S2—Gdxx _{80.81 (3)}

S1vii_—Rb—Cuvii _{108.45 (2) Cu}xvi_—S2—Gdxxi _{80.81 (3)}

S1vi_—Rb—Cuvii _{173.91 (2) Gd}xx_—S2—Gdxxi _{94.09 (3)}

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Acta Cryst. (2004). E60, i95–i96

S2i_—Rb—Cuvii _{38.564 (19) Gd}xx_—S2—Gdiii _{97.14 (3)}

S2ii_—Rb—Cuvii _{82.57 (2) Gd}xxi_—S2—Gdiii _{97.14 (3)}

S2xii_—Rb—Cuvii _{38.564 (19) Cu}xvi_—S2—Rbxi _{79.65 (3)}

Cuvi_—Rb—Cuvii _{65.453 (19) Gd}xx_—S2—Rbxi _{158.07 (4)}

S1vii_—Rb—Cuxiii _{38.82 (2) Gd}xxi_—S2—Rbxi _{92.531 (13)}

S1vi_—Rb—Cuxiii _{38.82 (2) Gd}iii_—S2—Rbxi _{102.75 (3)}

S2xi_—Rb—Cuxiii _{122.790 (19) Cu}xvi_—S2—Rbxii _{79.65 (3)}

S2i_—Rb—Cuxiii _{122.790 (19) Gd}xx_—S2—Rbxii _{92.531 (13)}

S2ii_—Rb—Cuxiii _{122.790 (19) Gd}xxi_—S2—Rbxii _{158.07 (4)}

S2xii_—Rb—Cuxiii _{122.790 (19) Gd}iii_—S2—Rbxii _{102.75 (3)}

Cuvi_—Rb—Cuxiii _{147.273 (10) Rb}xi_—S2—Rbxii _{74.25 (2)}

Cuvii_—Rb—Cuxiii _{147.273 (10) Gd}xxii_—S3—Gdvii _{180.000 (11)}

S1vii_{—Rb—S3 72.175 (10) Gd}xxii_—S3—Gdxxiii _{89.221 (8)}

S1vi_{—Rb—S3 72.175 (10) Gd}vii_—S3—Gdxxiii _{90.779 (8)}

S2xi_{—Rb—S3 138.666 (15) Gd}xxii_—S3—Gdvi _{90.779 (8)}

S2i_{—Rb—S3 71.016 (19) Gd}vii_—S3—Gdvi _{89.221 (8)}

S2ii_{—Rb—S3 71.016 (18) Gd}xxiii_—S3—Gdvi _{180.000 (11)}

S2xii_{—Rb—S3 138.666 (15) Gd}xxii_{—S3—Rb 91.304 (8)}

Cuvi_{—Rb—S3 109.301 (7) Gd}vii_{—S3—Rb 88.696 (8)}

Cuvii_{—Rb—S3 109.301 (7) Gd}xxiii_{—S3—Rb 91.304 (8)}

Cuxiii_{—Rb—S3 66.865 (10) Gd}vi_{—S3—Rb 88.696 (8)}

S1vii_—Rb—S3xiv _{72.175 (10) Gd}xxii_—S3—Rbxxiv _{88.697 (8)}

S1vi_—Rb—S3xiv _{72.175 (10) Gd}vii_—S3—Rbxxiv _{91.303 (8)}

S2xi_—Rb—S3xiv _{71.016 (19) Gd}xxiii_—S3—Rbxxiv _{88.697 (8)}

S2i_—Rb—S3xiv _{138.666 (15) Gd}vi_—S3—Rbxxiv _{91.303 (8)}

S2ii_—Rb—S3xiv _{138.666 (15) Rb—S3—Rb}xxiv _180.0

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