Two new glaserite-type orthovanadates: Rb₂KDy(VO₄)₂ and Cs_1.52K_1.48Gd(VO₄)₂

The title compounds have the glaserite structure type. The DyO₆ or GdO₆ octa­hedra share their three six vertices with six VO₄ tetra­hedra, three of which are upward and the other three down. The remaining cations are localized between the sheets resulting from the tetra­hedra-octa­hedra linkage via common vertices.

Key indicators

Structure: I

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](V-O) = 0.002 Å
• Disorder in solvent or counterion
• R factor = 0.016
• wR factor = 0.042
• Data-to-parameter ratio = 27.0

Structure: II

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](V-O) = 0.001 Å
• Disorder in main residue
• R factor = 0.010
• wR factor = 0.028
• Data-to-parameter ratio = 27.1

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of         V1 Check

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT300_ALERT_4_G Atom Site Occupancy of Rb2        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of K1         Constrained at        0.5 Check
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  2  )       100% Note
PLAT794_ALERT_5_G Tentative Bond Valency for Dy1       (III)     .       3.00 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 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
   0 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check




Datablock: II


Alert level C
PLAT077_ALERT_4_C Unitcell Contains Non-integer Number of Atoms ..     Please Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of         O2 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of         V1 Check
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1 Note
              Cs0.52 Gd O8 V2
PLAT975_ALERT_2_C Check Calcd Resid. Dens.  0.63A   From O1              0.52 eA-3

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          2 Info
PLAT019_ALERT_1_G _diffrn_measured_fraction_theta_full/*_max < 1.0      0.996 Report
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ...          2 Units
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        12% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  3  )       100% Note
PLAT794_ALERT_5_G Tentative Bond Valency for Gd1       (III)     .       3.27 Info
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          1 Note

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

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

---

Computing details

For both structures, data collection: APEX2 (Bruker, 2009); cell refinement: SAINT-Plus (Bruker, 2009); data reduction: SAINT-Plus (Bruker, 2009); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a). Program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015b) for (I); SHELXL2018 (Sheldrick, 2015b) for (II). Molecular graphics: ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg, 2006) for (I); ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2008) for (II). For both structures, software used to prepare material for publication: publCIF (Westrip, 2010).

Dirubidium potassium dysprosium bis(vanadate) (I)

Crystal data

Rb2KDy(VO4)2	Dx = 4.163 Mg m^−3
Mr = 602.42	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1	Cell parameters from 647 reflections
a = 5.9728 (1) Å	θ = 2.6–41.1°
c = 7.7780 (1) Å	µ = 20.10 mm^−1
V = 240.30 (1) Å^3	T = 296 K
Z = 1	Block, colourless
F(000) = 269	0.35 × 0.28 × 0.25 mm

Data collection

Bruker X8 APEX diffractometer	647 independent reflections
Radiation source: fine-focus sealed tube	631 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.049
φ and ω scans	θmax = 41.1°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −11→11
Tmin = 0.357, Tmax = 0.749	k = −11→10
10549 measured reflections	l = −14→14

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.0239P)^2 + 0.1252P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.016	(Δ/σ)max < 0.001
wR(F^2) = 0.042	Δρmax = 1.35 e Å^−3
S = 1.11	Δρmin = −1.35 e Å^−3
647 reflections	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
24 parameters	Extinction coefficient: 0.0124 (15)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Rb1	0.000000	0.000000	0.500000	0.03556 (16)
Dy1	0.000000	0.000000	0.000000	0.00791 (6)
K1	0.333333	0.666667	0.8013 (9)	0.0098 (8)	0.5
Rb2	0.333333	0.666667	0.7969 (5)	0.0191 (6)	0.5
V1	0.333333	0.666667	0.24618 (6)	0.00765 (8)
O1	0.17571 (17)	0.82429 (17)	0.1720 (3)	0.0273 (4)
O2	0.333333	0.666667	0.4567 (4)	0.0389 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Rb1	0.0463 (3)	0.0463 (3)	0.0141 (2)	0.02314 (13)	0.000	0.000
Dy1	0.00565 (6)	0.00565 (6)	0.01243 (8)	0.00282 (3)	0.000	0.000
K1	0.0082 (10)	0.0082 (10)	0.0128 (18)	0.0041 (5)	0.000	0.000
Rb2	0.0194 (7)	0.0194 (7)	0.0185 (12)	0.0097 (4)	0.000	0.000
V1	0.00766 (10)	0.00766 (10)	0.00763 (16)	0.00383 (5)	0.000	0.000
O1	0.0219 (5)	0.0219 (5)	0.0424 (10)	0.0141 (6)	−0.0081 (3)	0.0081 (3)
O2	0.0542 (15)	0.0542 (15)	0.0084 (10)	0.0271 (8)	0.000	0.000

Geometric parameters (Å, º)

Rb1—O1^i	3.133 (2)	K1—O1^xvii	2.9951 (5)
Rb1—O1^ii	3.133 (2)	K1—O1^xviii	2.9951 (6)
Rb1—O1^iii	3.133 (2)	K1—O1^iii	2.9951 (6)
Rb1—O1^iv	3.133 (2)	K1—O1^xix	2.9951 (5)
Rb1—O1^v	3.133 (2)	K1—O1^i	2.9951 (5)
Rb1—O1^vi	3.133 (2)	K1—O1^xx	3.312 (7)
Rb1—O2^vii	3.4648 (3)	K1—O1^xxi	3.312 (7)
Rb1—O2^viii	3.4648 (3)	K1—O1^xxii	3.312 (7)
Rb1—O2^ix	3.4648 (3)	K1—V1^xx	3.460 (7)
Rb1—O2	3.4648 (3)	K1—V1^vii	3.4681 (8)
Rb1—O2^iii	3.4649 (3)	Rb2—O2	2.647 (5)
Rb1—O2^iv	3.4649 (3)	Rb2—O1^xvi	2.9976 (4)
Dy1—O1^x	2.2569 (17)	Rb2—O1^xvii	2.9976 (4)
Dy1—O1^vi	2.2569 (17)	Rb2—O1^xviii	2.9976 (4)
Dy1—O1^xi	2.2569 (17)	Rb2—O1^iii	2.9976 (4)
Dy1—O1^iv	2.2569 (17)	Rb2—O1^xix	2.9976 (4)
Dy1—O1^xii	2.2569 (17)	Rb2—O1^i	2.9976 (4)
Dy1—O1^ii	2.2569 (17)	Rb2—O1^xx	3.342 (4)
Dy1—K1^xiii	3.779 (3)	Rb2—O1^xxi	3.342 (4)
Dy1—K1^vii	3.779 (3)	Rb2—O1^xxii	3.342 (4)
Dy1—K1^xiv	3.779 (3)	Rb2—V1^vii	3.4646 (4)
Dy1—K1^ix	3.779 (3)	Rb2—V1^iii	3.4647 (4)
Dy1—K1^xv	3.779 (3)	V1—O2	1.637 (3)
Dy1—K1^iii	3.779 (3)	V1—O1	1.7297 (16)
K1—O2	2.681 (8)	V1—O1^vi	1.7297 (16)
K1—O1^xvi	2.9951 (5)	V1—O1^xxiii	1.7297 (16)
O1^i—Rb1—O1^ii	180.0	O1^xviii—K1—V1^xx	86.02 (15)
O1^i—Rb1—O1^iii	60.33 (5)	O1^iii—K1—V1^xx	86.02 (15)
O1^ii—Rb1—O1^iii	119.67 (5)	O1^xix—K1—V1^xx	86.02 (15)
O1^i—Rb1—O1^iv	119.67 (5)	O1^i—K1—V1^xx	86.02 (15)
O1^ii—Rb1—O1^iv	60.33 (5)	O1^xx—K1—V1^xx	29.49 (7)
O1^iii—Rb1—O1^iv	180.0	O1^xxi—K1—V1^xx	29.49 (7)
O1^i—Rb1—O1^v	60.33 (5)	O1^xxii—K1—V1^xx	29.49 (7)
O1^ii—Rb1—O1^v	119.67 (5)	O2—K1—V1^vii	83.89 (12)
O1^iii—Rb1—O1^v	60.33 (5)	O1^xvi—K1—V1^vii	148.26 (4)
O1^iv—Rb1—O1^v	119.67 (5)	O1^xvii—K1—V1^vii	148.26 (4)
O1^i—Rb1—O1^vi	119.67 (5)	O1^xviii—K1—V1^vii	92.20 (4)
O1^ii—Rb1—O1^vi	60.33 (5)	O1^iii—K1—V1^vii	92.20 (4)
O1^iii—Rb1—O1^vi	119.67 (5)	O1^xix—K1—V1^vii	29.92 (3)
O1^iv—Rb1—O1^vi	60.33 (5)	O1^i—K1—V1^vii	29.92 (3)
O1^v—Rb1—O1^vi	180.0	O1^xx—K1—V1^vii	125.60 (19)
O1^i—Rb1—O2^vii	48.95 (6)	O1^xxi—K1—V1^vii	81.25 (8)
O1^ii—Rb1—O2^vii	131.05 (6)	O1^xxii—K1—V1^vii	81.25 (8)
O1^iii—Rb1—O2^vii	102.09 (5)	V1^xx—K1—V1^vii	96.11 (12)
O1^iv—Rb1—O2^vii	77.91 (5)	O2—Rb2—O1^xvi	94.63 (9)
O1^v—Rb1—O2^vii	102.09 (5)	O2—Rb2—O1^xvii	94.63 (9)
O1^vi—Rb1—O2^vii	77.91 (5)	O1^xvi—Rb2—O1^xvii	63.36 (7)
O1^i—Rb1—O2^viii	131.05 (6)	O2—Rb2—O1^xviii	94.63 (9)
O1^ii—Rb1—O2^viii	48.95 (6)	O1^xvi—Rb2—O1^xviii	56.21 (7)
O1^iii—Rb1—O2^viii	77.91 (5)	O1^xvii—Rb2—O1^xviii	119.36 (3)
O1^iv—Rb1—O2^viii	102.09 (5)	O2—Rb2—O1^iii	94.63 (9)
O1^v—Rb1—O2^viii	77.91 (5)	O1^xvi—Rb2—O1^iii	119.36 (3)
O1^vi—Rb1—O2^viii	102.09 (5)	O1^xvii—Rb2—O1^iii	56.21 (7)
O2^vii—Rb1—O2^viii	180.00 (11)	O1^xviii—Rb2—O1^iii	170.08 (18)
O1^i—Rb1—O2^ix	102.09 (5)	O2—Rb2—O1^xix	94.63 (9)
O1^ii—Rb1—O2^ix	77.91 (5)	O1^xvi—Rb2—O1^xix	119.36 (3)
O1^iii—Rb1—O2^ix	102.09 (5)	O1^xvii—Rb2—O1^xix	170.08 (18)
O1^iv—Rb1—O2^ix	77.91 (5)	O1^xviii—Rb2—O1^xix	63.36 (7)
O1^v—Rb1—O2^ix	48.95 (6)	O1^iii—Rb2—O1^xix	119.36 (3)
O1^vi—Rb1—O2^ix	131.05 (6)	O2—Rb2—O1^i	94.63 (9)
O2^vii—Rb1—O2^ix	119.065 (18)	O1^xvi—Rb2—O1^i	170.08 (18)
O2^viii—Rb1—O2^ix	60.935 (18)	O1^xvii—Rb2—O1^i	119.36 (3)
O1^i—Rb1—O2	77.91 (5)	O1^xviii—Rb2—O1^i	119.36 (3)
O1^ii—Rb1—O2	102.09 (5)	O1^iii—Rb2—O1^i	63.36 (7)
O1^iii—Rb1—O2	77.91 (5)	O1^xix—Rb2—O1^i	56.21 (7)
O1^iv—Rb1—O2	102.09 (5)	O2—Rb2—O1^xx	150.80 (5)
O1^v—Rb1—O2	131.05 (6)	O1^xvi—Rb2—O1^xx	61.07 (8)
O1^vi—Rb1—O2	48.95 (6)	O1^xvii—Rb2—O1^xx	61.07 (8)
O2^vii—Rb1—O2	60.935 (18)	O1^xviii—Rb2—O1^xx	85.09 (8)
O2^viii—Rb1—O2	119.065 (18)	O1^iii—Rb2—O1^xx	85.09 (8)
O2^ix—Rb1—O2	180.0	O1^xix—Rb2—O1^xx	110.99 (11)
O1^i—Rb1—O2^iii	102.09 (5)	O1^i—Rb2—O1^xx	110.99 (11)
O1^ii—Rb1—O2^iii	77.91 (5)	O2—Rb2—O1^xxi	150.80 (5)
O1^iii—Rb1—O2^iii	48.95 (6)	O1^xvi—Rb2—O1^xxi	85.09 (8)
O1^iv—Rb1—O2^iii	131.05 (6)	O1^xvii—Rb2—O1^xxi	110.99 (11)
O1^v—Rb1—O2^iii	102.09 (5)	O1^xviii—Rb2—O1^xxi	61.07 (8)
O1^vi—Rb1—O2^iii	77.91 (5)	O1^iii—Rb2—O1^xxi	110.99 (11)
O2^vii—Rb1—O2^iii	119.064 (18)	O1^xix—Rb2—O1^xxi	61.07 (8)
O2^viii—Rb1—O2^iii	60.936 (18)	O1^i—Rb2—O1^xxi	85.09 (8)
O2^ix—Rb1—O2^iii	119.064 (18)	O1^xx—Rb2—O1^xxi	49.99 (8)
O2—Rb1—O2^iii	60.935 (18)	O2—Rb2—O1^xxii	150.80 (5)
O1^i—Rb1—O2^iv	77.91 (5)	O1^xvi—Rb2—O1^xxii	110.99 (11)
O1^ii—Rb1—O2^iv	102.09 (5)	O1^xvii—Rb2—O1^xxii	85.09 (8)
O1^iii—Rb1—O2^iv	131.05 (6)	O1^xviii—Rb2—O1^xxii	110.99 (11)
O1^iv—Rb1—O2^iv	48.95 (6)	O1^iii—Rb2—O1^xxii	61.07 (8)
O1^v—Rb1—O2^iv	77.91 (5)	O1^xix—Rb2—O1^xxii	85.09 (8)
O1^vi—Rb1—O2^iv	102.09 (5)	O1^i—Rb2—O1^xxii	61.07 (8)
O2^vii—Rb1—O2^iv	60.936 (18)	O1^xx—Rb2—O1^xxii	49.99 (8)
O2^viii—Rb1—O2^iv	119.064 (18)	O1^xxi—Rb2—O1^xxii	49.99 (8)
O2^ix—Rb1—O2^iv	60.936 (18)	O2—Rb2—V1^vii	84.45 (7)
O2—Rb1—O2^iv	119.065 (18)	O1^xvi—Rb2—V1^vii	148.32 (3)
O2^iii—Rb1—O2^iv	180.0	O1^xvii—Rb2—V1^vii	148.32 (3)
O1^x—Dy1—O1^vi	180.00 (12)	O1^xviii—Rb2—V1^vii	92.23 (3)
O1^x—Dy1—O1^xi	88.46 (9)	O1^iii—Rb2—V1^vii	92.23 (3)
O1^vi—Dy1—O1^xi	91.54 (9)	O1^xix—Rb2—V1^vii	29.95 (3)
O1^x—Dy1—O1^iv	91.54 (9)	O1^i—Rb2—V1^vii	29.95 (3)
O1^vi—Dy1—O1^iv	88.46 (9)	O1^xx—Rb2—V1^vii	124.76 (11)
O1^xi—Dy1—O1^iv	180.00 (9)	O1^xxi—Rb2—V1^vii	80.89 (5)
O1^x—Dy1—O1^xii	88.46 (9)	O1^xxii—Rb2—V1^vii	80.89 (5)
O1^vi—Dy1—O1^xii	91.54 (9)	O2—Rb2—V1^iii	84.45 (7)
O1^xi—Dy1—O1^xii	88.46 (9)	O1^xvi—Rb2—V1^iii	92.23 (3)
O1^iv—Dy1—O1^xii	91.54 (9)	O1^xvii—Rb2—V1^iii	29.95 (3)
O1^x—Dy1—O1^ii	91.54 (9)	O1^xviii—Rb2—V1^iii	148.32 (3)
O1^vi—Dy1—O1^ii	88.46 (9)	O1^iii—Rb2—V1^iii	29.95 (3)
O1^xi—Dy1—O1^ii	91.54 (9)	O1^xix—Rb2—V1^iii	148.32 (3)
O1^iv—Dy1—O1^ii	88.46 (9)	O1^i—Rb2—V1^iii	92.23 (3)
O1^xii—Dy1—O1^ii	180.00 (10)	O1^xx—Rb2—V1^iii	80.89 (5)
O1^x—Dy1—K1^xiii	52.42 (5)	O1^xxi—Rb2—V1^iii	124.76 (11)
O1^vi—Dy1—K1^xiii	127.58 (5)	O1^xxii—Rb2—V1^iii	80.89 (5)
O1^xi—Dy1—K1^xiii	52.42 (5)	V1^vii—Rb2—V1^iii	119.07 (2)
O1^iv—Dy1—K1^xiii	127.58 (5)	O2—V1—O1	109.49 (8)
O1^xii—Dy1—K1^xiii	119.51 (12)	O2—V1—O1^vi	109.49 (8)
O1^ii—Dy1—K1^xiii	60.49 (12)	O1—V1—O1^vi	109.45 (8)
O1^x—Dy1—K1^vii	127.58 (5)	O2—V1—O1^xxiii	109.49 (8)
O1^vi—Dy1—K1^vii	52.42 (5)	O1—V1—O1^xxiii	109.45 (8)
O1^xi—Dy1—K1^vii	127.58 (5)	O1^vi—V1—O1^xxiii	109.45 (8)
O1^iv—Dy1—K1^vii	52.42 (5)	O2—V1—K1^xiv	180.0
O1^xii—Dy1—K1^vii	60.49 (12)	O1—V1—K1^xiv	70.51 (8)
O1^ii—Dy1—K1^vii	119.51 (12)	O1^vi—V1—K1^xiv	70.51 (8)
K1^xiii—Dy1—K1^vii	180.0	O1^xxiii—V1—K1^xiv	70.51 (8)
O1^x—Dy1—K1^xiv	119.51 (12)	O2—V1—K1^vii	96.11 (12)
O1^vi—Dy1—K1^xiv	60.49 (12)	O1—V1—K1^vii	154.40 (15)
O1^xi—Dy1—K1^xiv	52.42 (5)	O1^vi—V1—K1^vii	59.72 (4)
O1^iv—Dy1—K1^xiv	127.58 (5)	O1^xxiii—V1—K1^vii	59.72 (4)
O1^xii—Dy1—K1^xiv	52.42 (5)	K1^xiv—V1—K1^vii	83.89 (12)
O1^ii—Dy1—K1^xiv	127.58 (5)	O2—V1—K1^iii	96.11 (12)
K1^xiii—Dy1—K1^xiv	104.42 (12)	O1—V1—K1^iii	59.72 (4)
K1^vii—Dy1—K1^xiv	75.58 (12)	O1^vi—V1—K1^iii	59.72 (4)
O1^x—Dy1—K1^ix	60.49 (12)	O1^xxiii—V1—K1^iii	154.40 (15)
O1^vi—Dy1—K1^ix	119.51 (12)	K1^xiv—V1—K1^iii	83.89 (12)
O1^xi—Dy1—K1^ix	127.58 (5)	K1^vii—V1—K1^iii	118.88 (4)
O1^iv—Dy1—K1^ix	52.42 (5)	O2—V1—K1^xviii	96.11 (12)
O1^xii—Dy1—K1^ix	127.58 (5)	O1—V1—K1^xviii	59.72 (4)
O1^ii—Dy1—K1^ix	52.42 (5)	O1^vi—V1—K1^xviii	154.40 (15)
K1^xiii—Dy1—K1^ix	75.58 (12)	O1^xxiii—V1—K1^xviii	59.72 (4)
K1^vii—Dy1—K1^ix	104.42 (12)	K1^xiv—V1—K1^xviii	83.89 (12)
K1^xiv—Dy1—K1^ix	180.0	K1^vii—V1—K1^xviii	118.88 (5)
O1^x—Dy1—K1^xv	52.42 (5)	K1^iii—V1—K1^xviii	118.88 (4)
O1^vi—Dy1—K1^xv	127.58 (5)	O2—V1—Rb1^xxiv	60.209 (6)
O1^xi—Dy1—K1^xv	119.51 (12)	O1—V1—Rb1^xxiv	49.28 (8)
O1^iv—Dy1—K1^xv	60.49 (12)	O1^vi—V1—Rb1^xxiv	125.09 (3)
O1^xii—Dy1—K1^xv	52.42 (5)	O1^xxiii—V1—Rb1^xxiv	125.09 (3)
O1^ii—Dy1—K1^xv	127.58 (5)	K1^xiv—V1—Rb1^xxiv	119.792 (6)
K1^xiii—Dy1—K1^xv	104.42 (12)	K1^vii—V1—Rb1^xxiv	156.32 (12)
K1^vii—Dy1—K1^xv	75.58 (12)	K1^iii—V1—Rb1^xxiv	67.75 (7)
K1^xiv—Dy1—K1^xv	104.42 (12)	K1^xviii—V1—Rb1^xxiv	67.75 (7)
K1^ix—Dy1—K1^xv	75.58 (12)	O2—V1—Rb1^xxv	60.209 (6)
O1^x—Dy1—K1^iii	127.58 (5)	O1—V1—Rb1^xxv	125.09 (3)
O1^vi—Dy1—K1^iii	52.42 (5)	O1^vi—V1—Rb1^xxv	125.09 (3)
O1^xi—Dy1—K1^iii	60.49 (12)	O1^xxiii—V1—Rb1^xxv	49.28 (8)
O1^iv—Dy1—K1^iii	119.51 (12)	K1^xiv—V1—Rb1^xxv	119.791 (6)
O1^xii—Dy1—K1^iii	127.58 (5)	K1^vii—V1—Rb1^xxv	67.76 (7)
O1^ii—Dy1—K1^iii	52.42 (5)	K1^iii—V1—Rb1^xxv	156.32 (12)
K1^xiii—Dy1—K1^iii	75.58 (12)	K1^xviii—V1—Rb1^xxv	67.76 (7)
K1^vii—Dy1—K1^iii	104.42 (12)	Rb1^xxiv—V1—Rb1^xxv	97.454 (8)
K1^xiv—Dy1—K1^iii	75.58 (12)	O2—V1—Rb1	60.209 (6)
K1^ix—Dy1—K1^iii	104.42 (12)	O1—V1—Rb1	125.09 (3)
K1^xv—Dy1—K1^iii	180.0	O1^vi—V1—Rb1	49.28 (8)
O2—K1—O1^xvi	93.98 (15)	O1^xxiii—V1—Rb1	125.09 (3)
O2—K1—O1^xvii	93.98 (15)	K1^xiv—V1—Rb1	119.791 (6)
O1^xvi—K1—O1^xvii	63.42 (7)	K1^vii—V1—Rb1	67.76 (7)
O2—K1—O1^xviii	93.98 (15)	K1^iii—V1—Rb1	67.76 (7)
O1^xvi—K1—O1^xviii	56.26 (7)	K1^xviii—V1—Rb1	156.32 (12)
O1^xvii—K1—O1^xviii	119.52 (4)	Rb1^xxiv—V1—Rb1	97.454 (8)
O2—K1—O1^iii	93.98 (15)	Rb1^xxv—V1—Rb1	97.454 (8)
O1^xvi—K1—O1^iii	119.52 (4)	O2—V1—Rb2	0.000 (1)
O1^xvii—K1—O1^iii	56.26 (7)	O1—V1—Rb2	109.49 (8)
O1^xviii—K1—O1^iii	171.3 (3)	O1^vi—V1—Rb2	109.49 (8)
O2—K1—O1^xix	93.98 (15)	O1^xxiii—V1—Rb2	109.49 (8)
O1^xvi—K1—O1^xix	119.52 (4)	K1^xiv—V1—Rb2	180.0
O1^xvii—K1—O1^xix	171.3 (3)	K1^vii—V1—Rb2	96.11 (12)
O1^xviii—K1—O1^xix	63.42 (7)	K1^iii—V1—Rb2	96.11 (12)
O1^iii—K1—O1^xix	119.52 (4)	K1^xviii—V1—Rb2	96.11 (12)
O2—K1—O1^i	93.98 (15)	Rb1^xxiv—V1—Rb2	60.209 (6)
O1^xvi—K1—O1^i	171.3 (3)	Rb1^xxv—V1—Rb2	60.209 (6)
O1^xvii—K1—O1^i	119.52 (4)	Rb1—V1—Rb2	60.209 (6)
O1^xviii—K1—O1^i	119.52 (4)	V1—O1—Dy1^xxiv	163.14 (14)
O1^iii—K1—O1^i	63.42 (7)	V1—O1—K1^xviii	90.36 (6)
O1^xix—K1—O1^i	56.26 (7)	Dy1^xxiv—O1—K1^xviii	90.91 (9)
O2—K1—O1^xx	150.51 (7)	V1—O1—K1^iii	90.36 (6)
O1^xvi—K1—O1^xx	61.46 (10)	Dy1^xxiv—O1—K1^iii	90.91 (9)
O1^xvii—K1—O1^xx	61.46 (10)	K1^xviii—O1—K1^iii	171.3 (3)
O1^xviii—K1—O1^xx	85.65 (13)	V1—O1—Rb1^xxiv	105.98 (10)
O1^iii—K1—O1^xx	85.65 (13)	Dy1^xxiv—O1—Rb1^xxiv	90.88 (6)
O1^xix—K1—O1^xx	111.86 (19)	K1^xviii—O1—Rb1^xxiv	85.72 (12)
O1^i—K1—O1^xx	111.86 (19)	K1^iii—O1—Rb1^xxiv	85.72 (12)
O2—K1—O1^xxi	150.51 (7)	V1—O1—K1^xiv	80.00 (10)
O1^xvi—K1—O1^xxi	85.65 (13)	Dy1^xxiv—O1—K1^xiv	83.14 (9)
O1^xvii—K1—O1^xxi	111.86 (19)	K1^xviii—O1—K1^xiv	94.35 (13)
O1^xviii—K1—O1^xxi	61.46 (10)	K1^iii—O1—K1^xiv	94.35 (13)
O1^iii—K1—O1^xxi	111.86 (19)	Rb1^xxiv—O1—K1^xiv	174.02 (9)
O1^xix—K1—O1^xxi	61.46 (10)	V1—O2—Rb2	180.0
O1^i—K1—O1^xxi	85.65 (13)	V1—O2—K1	180.0
O1^xx—K1—O1^xxi	50.47 (12)	Rb2—O2—K1	0.000 (1)
O2—K1—O1^xxii	150.51 (7)	V1—O2—Rb1^xxiv	95.58 (5)
O1^xvi—K1—O1^xxii	111.86 (19)	Rb2—O2—Rb1^xxiv	84.42 (5)
O1^xvii—K1—O1^xxii	85.65 (13)	K1—O2—Rb1^xxiv	84.42 (5)
O1^xviii—K1—O1^xxii	111.86 (19)	V1—O2—Rb1^xxv	95.58 (5)
O1^iii—K1—O1^xxii	61.46 (10)	Rb2—O2—Rb1^xxv	84.42 (5)
O1^xix—K1—O1^xxii	85.65 (13)	K1—O2—Rb1^xxv	84.42 (5)
O1^i—K1—O1^xxii	61.46 (10)	Rb1^xxiv—O2—Rb1^xxv	119.065 (18)
O1^xx—K1—O1^xxii	50.47 (12)	V1—O2—Rb1	95.58 (5)
O1^xxi—K1—O1^xxii	50.47 (12)	Rb2—O2—Rb1	84.42 (5)
O2—K1—V1^xx	180.0	K1—O2—Rb1	84.42 (5)
O1^xvi—K1—V1^xx	86.02 (15)	Rb1^xxiv—O2—Rb1	119.065 (18)
O1^xvii—K1—V1^xx	86.02 (15)	Rb1^xxv—O2—Rb1	119.065 (18)

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

Caesium potassium gadolinium bis(vanadate) (II)

Crystal data

Cs1.52K1.48Gd(VO4)2	Dx = 4.270 Mg m^−3
Mr = 646.74	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3m1	Cell parameters from 678 reflections
a = 6.0321 (1) Å	θ = 3.9–41.1°
c = 7.9821 (2) Å	µ = 14.37 mm^−1
V = 251.53 (1) Å^3	T = 296 K
Z = 1	Block, colourless
F(000) = 286	0.34 × 0.26 × 0.22 mm

Data collection

Bruker X8 APEX diffractometer	678 independent reflections
Radiation source: fine-focus sealed tube	666 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.038
φ and ω scans	θmax = 41.1°, θmin = 3.9°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −11→11
Tmin = 0.639, Tmax = 0.747	k = −9→11
14472 measured reflections	l = −14→14

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	w = 1/[σ^2(Fo^2) + (0.014P)^2 + 0.0871P] where P = (Fo^2 + 2Fc^2)/3
R[F^2 > 2σ(F^2)] = 0.010	(Δ/σ)max < 0.001
wR(F^2) = 0.028	Δρmax = 0.63 e Å^−3
S = 1.09	Δρmin = −0.94 e Å^−3
678 reflections	Extinction correction: SHELXL2018 (Sheldrick, 2015b), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
25 parameters	Extinction coefficient: 0.0022 (6)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cs1	0.000000	0.000000	0.500000	0.02453 (5)
Gd1	0.000000	0.000000	0.000000	0.00899 (4)
K1	0.333333	0.666667	0.7877 (3)	0.0113 (5)	0.7404 (18)
Cs2	0.333333	0.666667	0.7867 (4)	0.0230 (8)	0.2597 (18)
V1	0.333333	0.666667	0.23977 (4)	0.00899 (5)
O1	0.17704 (10)	0.82296 (10)	0.16910 (16)	0.0265 (2)
O2	0.333333	0.666667	0.4470 (3)	0.0317 (5)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cs1	0.02979 (7)	0.02979 (7)	0.01402 (8)	0.01489 (3)	0.000	0.000
Gd1	0.00627 (4)	0.00627 (4)	0.01444 (6)	0.00313 (2)	0.000	0.000
K1	0.0091 (6)	0.0091 (6)	0.0156 (9)	0.0046 (3)	0.000	0.000
Cs2	0.0200 (9)	0.0200 (9)	0.0288 (14)	0.0100 (5)	0.000	0.000
V1	0.00756 (7)	0.00756 (7)	0.01186 (11)	0.00378 (3)	0.000	0.000
O1	0.0244 (4)	0.0244 (4)	0.0379 (6)	0.0177 (4)	−0.00613 (19)	0.00613 (19)
O2	0.0404 (7)	0.0404 (7)	0.0144 (7)	0.0202 (4)	0.000	0.000

Geometric parameters (Å, º)

Cs1—O1^i	3.2245 (13)	K1—O1^xvii	3.0377 (4)
Cs1—O1^ii	3.2245 (13)	K1—O1^xviii	3.0377 (4)
Cs1—O1^iii	3.2245 (13)	K1—O1^iii	3.0377 (4)
Cs1—O1^iv	3.2245 (13)	K1—O1^xix	3.0377 (4)
Cs1—O1^v	3.2245 (13)	K1—O1^i	3.0377 (4)
Cs1—O1^vi	3.2245 (13)	K1—V1^vii	3.4895 (2)
Cs1—O2^vii	3.5082 (3)	K1—V1^iii	3.4895 (2)
Cs1—O2^viii	3.5082 (3)	K1—V1^xviii	3.4895 (2)
Cs1—O2^ix	3.5082 (3)	K1—V1^xx	3.609 (3)
Cs1—O2	3.5083 (3)	Cs2—O2	2.712 (4)
Cs1—O2^iii	3.5083 (3)	Cs2—O1^xvi	3.0386 (4)
Cs1—O2^iv	3.5083 (2)	Cs2—O1^xvii	3.0386 (4)
Gd1—O1^x	2.2898 (10)	Cs2—O1^xviii	3.0386 (4)
Gd1—O1^vi	2.2898 (10)	Cs2—O1^iii	3.0386 (4)
Gd1—O1^xi	2.2898 (10)	Cs2—O1^xix	3.0386 (4)
Gd1—O1^iv	2.2898 (10)	Cs2—O1^i	3.0386 (4)
Gd1—O1^xii	2.2898 (10)	Cs2—O1^xx	3.462 (3)
Gd1—O1^ii	2.2898 (10)	Cs2—O1^xxi	3.462 (3)
Gd1—K1^xiii	3.8732 (12)	Cs2—O1^xxii	3.462 (3)
Gd1—K1^vii	3.8732 (12)	Cs2—V1^vii	3.4890 (2)
Gd1—K1^xiv	3.8731 (12)	Cs2—V1^iii	3.4890 (2)
Gd1—K1^ix	3.8731 (12)	V1—O2	1.654 (2)
Gd1—K1^xv	3.8732 (12)	V1—O1	1.7276 (10)
Gd1—K1^iii	3.8732 (12)	V1—O1^vi	1.7276 (10)
K1—O2	2.719 (3)	V1—O1^xxiii	1.7276 (10)
K1—O1^xvi	3.0377 (4)
O1^i—Cs1—O1^ii	180.0	O1^xvi—K1—V1^xx	83.48 (6)
O1^i—Cs1—O1^iii	59.57 (3)	O1^xvii—K1—V1^xx	83.48 (6)
O1^ii—Cs1—O1^iii	120.43 (3)	O1^xviii—K1—V1^xx	83.48 (6)
O1^i—Cs1—O1^iv	120.43 (3)	O1^iii—K1—V1^xx	83.48 (6)
O1^ii—Cs1—O1^iv	59.57 (3)	O1^xix—K1—V1^xx	83.48 (6)
O1^iii—Cs1—O1^iv	180.0	O1^i—K1—V1^xx	83.48 (6)
O1^i—Cs1—O1^v	59.57 (3)	V1^vii—K1—V1^xx	93.60 (4)
O1^ii—Cs1—O1^v	120.43 (3)	V1^iii—K1—V1^xx	93.60 (4)
O1^iii—Cs1—O1^v	59.57 (3)	V1^xviii—K1—V1^xx	93.60 (4)
O1^iv—Cs1—O1^v	120.43 (3)	O2—K1—Gd1^xxiv	115.95 (4)
O1^i—Cs1—O1^vi	120.43 (3)	O1^xvi—K1—Gd1^xxiv	36.21 (2)
O1^ii—Cs1—O1^vi	59.57 (3)	O1^xvii—K1—Gd1^xxiv	36.21 (2)
O1^iii—Cs1—O1^vi	120.43 (3)	O1^xviii—K1—Gd1^xxiv	85.31 (3)
O1^iv—Cs1—O1^vi	59.57 (3)	O1^iii—K1—Gd1^xxiv	85.31 (3)
O1^v—Cs1—O1^vi	180.0	O1^xix—K1—Gd1^xxiv	137.69 (7)
O1^i—Cs1—O2^vii	48.07 (4)	O1^i—K1—Gd1^xxiv	137.69 (7)
O1^ii—Cs1—O2^vii	131.93 (4)	V1^vii—K1—Gd1^xxiv	157.65 (8)
O1^iii—Cs1—O2^vii	100.71 (3)	V1^iii—K1—Gd1^xxiv	65.087 (12)
O1^iv—Cs1—O2^vii	79.29 (3)	V1^xviii—K1—Gd1^xxiv	65.087 (12)
O1^v—Cs1—O2^vii	100.71 (3)	V1^xx—K1—Gd1^xxiv	64.05 (4)
O1^vi—Cs1—O2^vii	79.29 (3)	O2—Cs2—O1^xvi	96.67 (7)
O1^i—Cs1—O2^viii	131.93 (4)	O2—Cs2—O1^xvii	96.67 (7)
O1^ii—Cs1—O2^viii	48.07 (4)	O1^xvi—Cs2—O1^xvii	63.63 (4)
O1^iii—Cs1—O2^viii	79.29 (3)	O2—Cs2—O1^xviii	96.67 (7)
O1^iv—Cs1—O2^viii	100.71 (3)	O1^xvi—Cs2—O1^xviii	55.47 (4)
O1^v—Cs1—O2^viii	79.29 (3)	O1^xvii—Cs2—O1^xviii	118.67 (3)
O1^vi—Cs1—O2^viii	100.71 (3)	O2—Cs2—O1^iii	96.67 (7)
O2^vii—Cs1—O2^viii	180.0	O1^xvi—Cs2—O1^iii	118.67 (3)
O1^i—Cs1—O2^ix	100.71 (3)	O1^xvii—Cs2—O1^iii	55.47 (4)
O1^ii—Cs1—O2^ix	79.29 (3)	O1^xviii—Cs2—O1^iii	166.04 (13)
O1^iii—Cs1—O2^ix	100.71 (3)	O2—Cs2—O1^xix	96.67 (7)
O1^iv—Cs1—O2^ix	79.29 (3)	O1^xvi—Cs2—O1^xix	118.67 (3)
O1^v—Cs1—O2^ix	48.07 (4)	O1^xvii—Cs2—O1^xix	166.04 (13)
O1^vi—Cs1—O2^ix	131.93 (4)	O1^xviii—Cs2—O1^xix	63.63 (4)
O2^vii—Cs1—O2^ix	118.567 (13)	O1^iii—Cs2—O1^xix	118.67 (3)
O2^viii—Cs1—O2^ix	61.433 (14)	O2—Cs2—O1^i	96.67 (7)
O1^i—Cs1—O2	79.29 (3)	O1^xvi—Cs2—O1^i	166.04 (13)
O1^ii—Cs1—O2	100.71 (3)	O1^xvii—Cs2—O1^i	118.67 (3)
O1^iii—Cs1—O2	79.29 (3)	O1^xviii—Cs2—O1^i	118.67 (3)
O1^iv—Cs1—O2	100.71 (3)	O1^iii—Cs2—O1^i	63.63 (4)
O1^v—Cs1—O2	131.93 (4)	O1^xix—Cs2—O1^i	55.47 (4)
O1^vi—Cs1—O2	48.07 (4)	O2—Cs2—O1^xx	151.86 (3)
O2^vii—Cs1—O2	61.434 (13)	O1^xvi—Cs2—O1^xx	60.03 (5)
O2^viii—Cs1—O2	118.566 (13)	O1^xvii—Cs2—O1^xx	60.03 (5)
O2^ix—Cs1—O2	180.0	O1^xviii—Cs2—O1^xx	83.15 (6)
O1^i—Cs1—O2^iii	100.71 (3)	O1^iii—Cs2—O1^xx	83.15 (6)
O1^ii—Cs1—O2^iii	79.29 (3)	O1^xix—Cs2—O1^xx	108.15 (8)
O1^iii—Cs1—O2^iii	48.07 (4)	O1^i—Cs2—O1^xx	108.15 (8)
O1^iv—Cs1—O2^iii	131.93 (4)	O2—Cs2—O1^xxi	151.86 (3)
O1^v—Cs1—O2^iii	100.71 (3)	O1^xvi—Cs2—O1^xxi	83.15 (6)
O1^vi—Cs1—O2^iii	79.29 (3)	O1^xvii—Cs2—O1^xxi	108.15 (8)
O2^vii—Cs1—O2^iii	118.565 (14)	O1^xviii—Cs2—O1^xxi	60.03 (5)
O2^viii—Cs1—O2^iii	61.435 (13)	O1^iii—Cs2—O1^xxi	108.15 (8)
O2^ix—Cs1—O2^iii	118.565 (14)	O1^xix—Cs2—O1^xxi	60.03 (5)
O2—Cs1—O2^iii	61.434 (13)	O1^i—Cs2—O1^xxi	83.15 (6)
O1^i—Cs1—O2^iv	79.29 (3)	O1^xx—Cs2—O1^xxi	48.22 (5)
O1^ii—Cs1—O2^iv	100.71 (3)	O2—Cs2—O1^xxii	151.86 (3)
O1^iii—Cs1—O2^iv	131.93 (4)	O1^xvi—Cs2—O1^xxii	108.15 (8)
O1^iv—Cs1—O2^iv	48.07 (4)	O1^xvii—Cs2—O1^xxii	83.15 (6)
O1^v—Cs1—O2^iv	79.29 (3)	O1^xviii—Cs2—O1^xxii	108.15 (8)
O1^vi—Cs1—O2^iv	100.71 (3)	O1^iii—Cs2—O1^xxii	60.03 (5)
O2^vii—Cs1—O2^iv	61.435 (13)	O1^xix—Cs2—O1^xxii	83.15 (6)
O2^viii—Cs1—O2^iv	118.565 (14)	O1^i—Cs2—O1^xxii	60.03 (5)
O2^ix—Cs1—O2^iv	61.435 (13)	O1^xx—Cs2—O1^xxii	48.22 (5)
O2—Cs1—O2^iv	118.566 (14)	O1^xxi—Cs2—O1^xxii	48.22 (5)
O2^iii—Cs1—O2^iv	180.0	O2—Cs2—V1^vii	86.53 (5)
O1^x—Gd1—O1^vi	180.00 (5)	O1^xvi—Cs2—V1^vii	147.92 (2)
O1^x—Gd1—O1^xi	88.78 (5)	O1^xvii—Cs2—V1^vii	147.92 (2)
O1^vi—Gd1—O1^xi	91.22 (5)	O1^xviii—Cs2—V1^vii	92.44 (2)
O1^x—Gd1—O1^iv	91.22 (5)	O1^iii—Cs2—V1^vii	92.44 (2)
O1^vi—Gd1—O1^iv	88.78 (5)	O1^xix—Cs2—V1^vii	29.680 (19)
O1^xi—Gd1—O1^iv	180.00 (6)	O1^i—Cs2—V1^vii	29.680 (19)
O1^x—Gd1—O1^xii	88.78 (5)	O1^xx—Cs2—V1^vii	121.61 (8)
O1^vi—Gd1—O1^xii	91.22 (5)	O1^xxi—Cs2—V1^vii	79.51 (4)
O1^xi—Gd1—O1^xii	88.78 (5)	O1^xxii—Cs2—V1^vii	79.51 (4)
O1^iv—Gd1—O1^xii	91.22 (5)	O2—Cs2—V1^iii	86.53 (5)
O1^x—Gd1—O1^ii	91.22 (5)	O1^xvi—Cs2—V1^iii	92.44 (2)
O1^vi—Gd1—O1^ii	88.78 (5)	O1^xvii—Cs2—V1^iii	29.680 (19)
O1^xi—Gd1—O1^ii	91.22 (5)	O1^xviii—Cs2—V1^iii	147.91 (2)
O1^iv—Gd1—O1^ii	88.78 (5)	O1^iii—Cs2—V1^iii	29.681 (19)
O1^xii—Gd1—O1^ii	180.00 (6)	O1^xix—Cs2—V1^iii	147.92 (2)
O1^x—Gd1—K1^xiii	51.601 (16)	O1^i—Cs2—V1^iii	92.44 (2)
O1^vi—Gd1—K1^xiii	128.399 (17)	O1^xx—Cs2—V1^iii	79.51 (4)
O1^xi—Gd1—K1^xiii	51.602 (16)	O1^xxi—Cs2—V1^iii	121.61 (8)
O1^iv—Gd1—K1^xiii	128.398 (16)	O1^xxii—Cs2—V1^iii	79.51 (4)
O1^xii—Gd1—K1^xiii	117.93 (5)	V1^vii—Cs2—V1^iii	119.638 (11)
O1^ii—Gd1—K1^xiii	62.07 (5)	O2—V1—O1	109.06 (5)
O1^x—Gd1—K1^vii	128.399 (17)	O2—V1—O1^vi	109.06 (5)
O1^vi—Gd1—K1^vii	51.601 (16)	O1—V1—O1^vi	109.88 (5)
O1^xi—Gd1—K1^vii	128.398 (16)	O2—V1—O1^xxiii	109.06 (5)
O1^iv—Gd1—K1^vii	51.602 (16)	O1—V1—O1^xxiii	109.88 (5)
O1^xii—Gd1—K1^vii	62.07 (5)	O1^vi—V1—O1^xxiii	109.88 (5)
O1^ii—Gd1—K1^vii	117.93 (5)	O2—V1—K1^vii	93.60 (4)
K1^xiii—Gd1—K1^vii	180.0	O1—V1—K1^vii	157.34 (6)
O1^x—Gd1—K1^xiv	117.93 (5)	O1^vi—V1—K1^vii	60.518 (16)
O1^vi—Gd1—K1^xiv	62.07 (5)	O1^xxiii—V1—K1^vii	60.518 (16)
O1^xi—Gd1—K1^xiv	51.602 (16)	O2—V1—K1^iii	93.60 (4)
O1^iv—Gd1—K1^xiv	128.398 (16)	O1—V1—K1^iii	60.517 (16)
O1^xii—Gd1—K1^xiv	51.602 (16)	O1^vi—V1—K1^iii	60.518 (16)
O1^ii—Gd1—K1^xiv	128.398 (16)	O1^xxiii—V1—K1^iii	157.34 (6)
K1^xiii—Gd1—K1^xiv	102.28 (4)	K1^vii—V1—K1^iii	119.610 (10)
K1^vii—Gd1—K1^xiv	77.72 (4)	O2—V1—K1^xviii	93.60 (4)
O1^x—Gd1—K1^ix	62.07 (5)	O1—V1—K1^xviii	60.517 (16)
O1^vi—Gd1—K1^ix	117.93 (5)	O1^vi—V1—K1^xviii	157.34 (6)
O1^xi—Gd1—K1^ix	128.398 (16)	O1^xxiii—V1—K1^xviii	60.518 (16)
O1^iv—Gd1—K1^ix	51.602 (16)	K1^vii—V1—K1^xviii	119.610 (10)
O1^xii—Gd1—K1^ix	128.398 (16)	K1^iii—V1—K1^xviii	119.609 (10)
O1^ii—Gd1—K1^ix	51.602 (16)	O2—V1—K1^xiv	180.0
K1^xiii—Gd1—K1^ix	77.72 (4)	O1—V1—K1^xiv	70.94 (5)
K1^vii—Gd1—K1^ix	102.28 (4)	O1^vi—V1—K1^xiv	70.94 (5)
K1^xiv—Gd1—K1^ix	180.0	O1^xxiii—V1—K1^xiv	70.94 (5)
O1^x—Gd1—K1^xv	51.602 (16)	K1^vii—V1—K1^xiv	86.40 (4)
O1^vi—Gd1—K1^xv	128.398 (16)	K1^iii—V1—K1^xiv	86.40 (4)
O1^xi—Gd1—K1^xv	117.93 (5)	K1^xviii—V1—K1^xiv	86.40 (4)
O1^iv—Gd1—K1^xv	62.07 (5)	O2—V1—Cs1^xxv	59.187 (4)
O1^xii—Gd1—K1^xv	51.602 (16)	O1—V1—Cs1^xxv	49.87 (5)
O1^ii—Gd1—K1^xv	128.398 (16)	O1^vi—V1—Cs1^xxv	124.970 (19)
K1^xiii—Gd1—K1^xv	102.28 (4)	O1^xxiii—V1—Cs1^xxv	124.970 (19)
K1^vii—Gd1—K1^xv	77.72 (4)	K1^vii—V1—Cs1^xxv	152.79 (5)
K1^xiv—Gd1—K1^xv	102.28 (4)	K1^iii—V1—Cs1^xxv	66.64 (3)
K1^ix—Gd1—K1^xv	77.72 (4)	K1^xviii—V1—Cs1^xxv	66.64 (3)
O1^x—Gd1—K1^iii	128.398 (16)	K1^xiv—V1—Cs1^xxv	120.814 (4)
O1^vi—Gd1—K1^iii	51.602 (16)	O2—V1—Cs1^xxvi	59.187 (4)
O1^xi—Gd1—K1^iii	62.07 (5)	O1—V1—Cs1^xxvi	124.969 (19)
O1^iv—Gd1—K1^iii	117.93 (5)	O1^vi—V1—Cs1^xxvi	124.970 (19)
O1^xii—Gd1—K1^iii	128.398 (16)	O1^xxiii—V1—Cs1^xxvi	49.87 (5)
O1^ii—Gd1—K1^iii	51.602 (16)	K1^vii—V1—Cs1^xxvi	66.65 (3)
K1^xiii—Gd1—K1^iii	77.72 (4)	K1^iii—V1—Cs1^xxvi	152.78 (5)
K1^vii—Gd1—K1^iii	102.28 (4)	K1^xviii—V1—Cs1^xxvi	66.65 (3)
K1^xiv—Gd1—K1^iii	77.72 (4)	K1^xiv—V1—Cs1^xxvi	120.813 (4)
K1^ix—Gd1—K1^iii	102.28 (4)	Cs1^xxv—V1—Cs1^xxvi	96.109 (5)
K1^xv—Gd1—K1^iii	180.0	O2—V1—Cs1	59.187 (4)
O2—K1—O1^xvi	96.52 (6)	O1—V1—Cs1	124.969 (19)
O2—K1—O1^xvii	96.52 (6)	O1^vi—V1—Cs1	49.87 (5)
O1^xvi—K1—O1^xvii	63.65 (4)	O1^xxiii—V1—Cs1	124.970 (19)
O2—K1—O1^xviii	96.52 (6)	K1^vii—V1—Cs1	66.65 (3)
O1^xvi—K1—O1^xviii	55.49 (4)	K1^iii—V1—Cs1	66.65 (3)
O1^xvii—K1—O1^xviii	118.73 (2)	K1^xviii—V1—Cs1	152.78 (5)
O2—K1—O1^iii	96.52 (6)	K1^xiv—V1—Cs1	120.813 (4)
O1^xvi—K1—O1^iii	118.73 (2)	Cs1^xxv—V1—Cs1	96.109 (5)
O1^xvii—K1—O1^iii	55.49 (4)	Cs1^xxvi—V1—Cs1	96.109 (5)
O1^xviii—K1—O1^iii	166.32 (11)	O2—V1—Cs2	0.0
O2—K1—O1^xix	96.52 (6)	O1—V1—Cs2	109.06 (5)
O1^xvi—K1—O1^xix	118.73 (2)	O1^vi—V1—Cs2	109.06 (5)
O1^xvii—K1—O1^xix	166.32 (11)	O1^xxiii—V1—Cs2	109.06 (5)
O1^xviii—K1—O1^xix	63.65 (4)	K1^vii—V1—Cs2	93.60 (4)
O1^iii—K1—O1^xix	118.73 (2)	K1^iii—V1—Cs2	93.60 (4)
O2—K1—O1^i	96.52 (6)	K1^xviii—V1—Cs2	93.60 (4)
O1^xvi—K1—O1^i	166.32 (11)	K1^xiv—V1—Cs2	180.0
O1^xvii—K1—O1^i	118.73 (2)	Cs1^xxv—V1—Cs2	59.187 (4)
O1^xviii—K1—O1^i	118.73 (2)	Cs1^xxvi—V1—Cs2	59.187 (4)
O1^iii—K1—O1^i	63.65 (4)	Cs1—V1—Cs2	59.187 (4)
O1^xix—K1—O1^i	55.49 (4)	V1—O1—Gd1^xxv	162.94 (8)
O2—K1—V1^vii	86.40 (4)	V1—O1—K1^xviii	89.81 (3)
O1^xvi—K1—V1^vii	147.94 (2)	Gd1^xxv—O1—K1^xviii	92.19 (4)
O1^xvii—K1—V1^vii	147.94 (2)	V1—O1—K1^iii	89.81 (3)
O1^xviii—K1—V1^vii	92.45 (2)	Gd1^xxv—O1—K1^iii	92.19 (4)
O1^iii—K1—V1^vii	92.45 (2)	K1^xviii—O1—K1^iii	166.32 (11)
O1^xix—K1—V1^vii	29.676 (19)	V1—O1—Cs1^xxv	105.95 (5)
O1^i—K1—V1^vii	29.676 (19)	Gd1^xxv—O1—Cs1^xxv	91.12 (4)
O2—K1—V1^iii	86.40 (4)	K1^xviii—O1—Cs1^xxv	83.48 (5)
O1^xvi—K1—V1^iii	92.45 (2)	K1^iii—O1—Cs1^xxv	83.48 (5)
O1^xvii—K1—V1^iii	29.675 (19)	V1—O2—Cs2	180.0
O1^xviii—K1—V1^iii	147.94 (2)	V1—O2—K1	180.0
O1^iii—K1—V1^iii	29.676 (19)	Cs2—O2—K1	0.0
O1^xix—K1—V1^iii	147.94 (2)	V1—O2—Cs1^xxv	96.93 (3)
O1^i—K1—V1^iii	92.45 (2)	Cs2—O2—Cs1^xxv	83.07 (3)
V1^vii—K1—V1^iii	119.610 (10)	K1—O2—Cs1^xxv	83.07 (3)
O2—K1—V1^xviii	86.40 (4)	V1—O2—Cs1^xxvi	96.93 (3)
O1^xvi—K1—V1^xviii	29.675 (19)	Cs2—O2—Cs1^xxvi	83.07 (3)
O1^xvii—K1—V1^xviii	92.45 (2)	K1—O2—Cs1^xxvi	83.07 (3)
O1^xviii—K1—V1^xviii	29.676 (19)	Cs1^xxv—O2—Cs1^xxvi	118.566 (13)
O1^iii—K1—V1^xviii	147.94 (2)	V1—O2—Cs1	96.93 (3)
O1^xix—K1—V1^xviii	92.45 (2)	Cs2—O2—Cs1	83.07 (3)
O1^i—K1—V1^xviii	147.94 (2)	K1—O2—Cs1	83.07 (3)
V1^vii—K1—V1^xviii	119.610 (10)	Cs1^xxv—O2—Cs1	118.566 (13)
V1^iii—K1—V1^xviii	119.609 (10)	Cs1^xxvi—O2—Cs1	118.566 (13)
O2—K1—V1^xx	180.0

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