RbYb(PO₃)₄

Rubidium ytterbium(III) tetra­kis­(polyphosphate), RbYb(PO₃)₄, was synthesized by solid-state reaction. It adopts structure type IV of the MRE(PO₃)₄ (M = alkali metal and RE = rare earth metal) family of compounds. The structure is composed of a three-dimensional framework made up from double spiral polyphosphate chains parallel to [10-1] and irregular [YbO₈] polyhedra. There are eight PO₄ tetra­hedra in the repeat unit of the polyphosphate chains. The Rb⁺ cation is located in channels extending along [100] that are delimited by the three-dimensional framework. It is surrounded by 11 O atoms, defining an irregular polyhedron.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](P-O) = 0.005 Å
• R factor = 0.043
• wR factor = 0.078
• Data-to-parameter ratio = 16.4

checkCIF/PLATON results

No syntax errors found



Alert level B
CHEMS01_ALERT_1_B  The sum formula contains elements in the wrong order.
            Yb precedes O
            Sequence must be alphabetical for inorganic structures.
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   YB     --  RB      ..       4.02 Ang.
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   YB     --  RB      ..       4.32 Ang.

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.143
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.966
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   YB     --  P3      ..       3.52 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   P1     --  RB      ..       3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   P2     --  RB      ..       3.68 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF:   P3     --  YB      ..       3.52 Ang.
PLAT975_ALERT_2_C Positive Residual Density at 0.51A from O4     .       1.19 eA-3
PLAT976_ALERT_2_C Negative Residual Density at 1.08A from O6     .      -1.08 eA-3

Alert level G
PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension .          3
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #        174
              O6   -P3   -YB      1.555   1.555   3.657             33.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... #        185
              O9   -P4   -YB      1.555   1.555   1.555             31.48 Deg.
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Yb      (III)         3.00
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         93

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

   9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

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S1. Comment

Extensive studies on structures and properties of condensed rare earth phosphates have been carried out in the past owing to their potential application in the optics domain (Miyazawa et al., 1979; Malinowski et al., 1989). Furthermore, their chemical and thermal stability ensures the feasibility of possible applications. Numerous rare-earth phosphates with ytterbium, such as YbP₃O₉ (Hong, 1974), CsYbP₂O₇ (Jansen et al., 1991), and K₂CsYb(PO₄)₂ (Rghioui et al., 2002) have been synthesized and structurally determined. However, the literature shows that in the polyphosphate family with general formula MRE(PO₃)₄ (M = monovalent cation, RE = rare earth cation), only a few examples with ytterbium are known [LiYb(PO₃)₄ (Fang et al., 2008)]. The reason for this situation is probably the difficulty in obtaining crystals of high quality. Accordingly, our research group is paying attention to the preparation of new polyphosphates MYb(PO₃)₄. We successfully grew single crystals of rubidium ytterbium polyphosphate, RbYb(PO₃)₄, the structure of which is reported here.

The crystal structure of RbYb(PO₃)₄ is shown in Figs. 1 and 2. It is isostructural with CsEu(PO₃)₄ (Zhu et al., 2009) and belongs to type IV of the MRE(PO₃)₄ (M = alkali metal and RE = rare earth) family of compounds. The structure can be described as a three-dimensional framework made up from polyphosphate double spiral chains extending parallel to [101] and YbO₈ polyhedra. The Rb⁺ cations are located in infinite tunnels along [100] delimited by the three-dimensional framework. As illustrated in Fig. 3, the P atom is four-coordinated, and four crystallographically distinct PO₄ tetrahedra form the (PO₃)_∞^- double spiral chains by corner-sharing. The P–O bond lengths and O—P—O bond angles show normal values for catena-polyphosphates. There are eight PO₄ tetrahedra in the repeating unit of the double spiral chain. The Yb^III cation is eight-coordinated in form of a distorted polyhedron with Y—O bond lengths ranging from 2.253 (5) to 2.412 (5) Å, which are consistent with those reported previously (Fang et al., 2008). The shortest Yb···Yb contact is 6.3540 (8) Å. The Rb⁺ cation are located in the intersecting channels and are surrounded by eleven O atoms, with Rb—O bond lengths in the range of 2.915 (5)–3.504 (5) Å. Neighboring two RbO₁₁ polyhedra are connected by corner-sharing.

Related literature

For background to applications of condensed rare earth phosphates, see: Malinowski (1989); Miyazawa et al. (1979). For the structures of other ytterbium phosphate compounds, see: Rghioui et al. (2002); Fang et al. (2008); Hong (1974); Jansen et al. (1991). For an isotypic structure, see: Zhu et al. (2009).

S2. Experimental

Single crystals of RbYb(PO₃)₄ were grown by solid state reactions. All reagents were purchased commercially and used without further purification. The starting materials RbNO₃, Yb₂O₃ and NH₄H₂PO₄ were weighed in the molar ratio of Rb/Yb/P = 7/1/18 and finely ground in an agate mortar to ensure the best homogeneity and reactivity, and were then placed in a corundum crucible and preheated at 373 K for 6 h. Afterwards, the material was reground and heated to 723 K for 36 h and then cooled to 393 K at a rate of 6 K/h and finally air-quenched to room temperature. A few colourless block-shaped crystals were obtained from the reaction product.

S3. Refinement

EDX spectrometry using a JSM6700F scanning electron microscope confirmed the composition. The remaining maximum and minimum electron densities are located 0.87 Å and 0.81 Å, respectively, from the Rb atom.

Computing details

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

Figures

	Fig. 1. View of a part of the title structure. Ellipsoids are shown at the 50% probability level. [Symmetry code: (i) -0.5 + x, 0.5 - y, -0.5 + z; (ii) 1.5 - x, 0.5 + y, 1.5 - z; (iv) 1 - x, -y, 2 - z; (x) x, 1 + y, z; (xiii) 1 - x, 1 - y, 2 - z;]
	Fig. 2. The packing of the structure of RbYb(PO3)4, viewed along the a axis. Polyhedra represents PO4 tetrahedra.
	Fig. 3. The polyphosphate double spiral chains

Rubidium ytterbium(III) tetrakis(polyphosphate)

Crystal data

RbYb(PO3)4	F(000) = 1049
Mr = 574.40	Dx = 4.052 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2802 reflections
a = 10.2022 (15) Å	θ = 2.4–29.5°
b = 8.7975 (13) Å	µ = 15.80 mm^−1
c = 10.9300 (16) Å	T = 296 K
β = 106.323 (2)°	Block, colorless
V = 941.5 (2) Å^3	0.10 × 0.07 × 0.04 mm
Z = 4

Data collection

Bruker APEXII CCD diffractometer	2676 independent reflections
Radiation source: fine-focus sealed tube	2024 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.143
φ and ω scans	θmax = 30.1°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −14→14
Tmin = 0.725, Tmax = 0.854	k = −12→12
9912 measured reflections	l = −15→15

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Primary atom site location: structure-invariant direct methods
R[F^2 > 2σ(F^2)] = 0.043	Secondary atom site location: difference Fourier map
wR(F^2) = 0.078	w = 1/[σ^2(Fo^2) + (0.016P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.00	(Δ/σ)max < 0.001
2676 reflections	Δρmax = 2.95 e Å^−3
163 parameters	Δρmin = −2.99 e Å^−3

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
Yb	0.49845 (3)	0.22753 (3)	0.68227 (3)	0.00898 (9)
Rb	0.68841 (9)	−0.06519 (10)	0.95773 (7)	0.02424 (19)
P1	0.45844 (18)	−0.1715 (2)	0.63271 (16)	0.0088 (3)
P2	0.85263 (18)	0.0916 (2)	0.74217 (16)	0.0093 (3)
P3	0.75504 (18)	0.0245 (2)	1.27947 (15)	0.0088 (3)
P4	0.67393 (18)	0.3877 (2)	0.97599 (16)	0.0091 (3)
O1	0.4366 (5)	−0.2434 (6)	0.5063 (4)	0.0135 (11)
O2	0.5242 (5)	−0.2914 (6)	0.7444 (5)	0.0141 (10)
O3	0.5348 (5)	−0.0274 (6)	0.6642 (5)	0.0144 (10)
O4	0.8988 (5)	−0.0414 (6)	0.8251 (5)	0.0137 (10)
O5	0.7325 (5)	0.1773 (6)	0.7555 (5)	0.0142 (10)
O6	0.6458 (5)	−0.0858 (6)	1.2179 (4)	0.0112 (10)
O7	0.6895 (5)	0.1572 (6)	1.3448 (5)	0.0122 (10)
O8	0.8156 (5)	0.3283 (6)	1.0176 (5)	0.0140 (11)
O9	0.5637 (5)	0.2853 (6)	0.9024 (4)	0.0118 (10)
O10	0.6370 (5)	0.4504 (6)	1.1006 (4)	0.0100 (10)
O11	0.3317 (5)	0.4059 (6)	0.6976 (4)	0.0125 (10)
O12	0.6715 (5)	−0.4534 (6)	0.9034 (4)	0.0134 (10)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Yb	0.00774 (14)	0.01101 (15)	0.00853 (13)	−0.00035 (12)	0.00286 (9)	−0.00056 (12)
Rb	0.0245 (4)	0.0340 (5)	0.0145 (4)	0.0045 (3)	0.0060 (3)	−0.0013 (3)
P1	0.0063 (8)	0.0108 (8)	0.0098 (8)	0.0007 (6)	0.0029 (6)	0.0001 (7)
P2	0.0078 (8)	0.0108 (9)	0.0089 (8)	−0.0006 (6)	0.0018 (6)	−0.0012 (6)
P3	0.0074 (8)	0.0117 (9)	0.0076 (8)	−0.0011 (6)	0.0024 (7)	0.0015 (6)
P4	0.0076 (8)	0.0127 (9)	0.0066 (7)	−0.0003 (6)	0.0015 (6)	0.0006 (6)
O1	0.013 (2)	0.020 (3)	0.009 (2)	−0.001 (2)	0.0051 (18)	−0.0006 (19)
O2	0.012 (2)	0.018 (3)	0.011 (2)	0.006 (2)	0.0026 (19)	0.006 (2)
O3	0.006 (2)	0.016 (3)	0.022 (3)	−0.005 (2)	0.005 (2)	−0.002 (2)
O4	0.014 (3)	0.013 (3)	0.014 (2)	0.001 (2)	0.005 (2)	−0.002 (2)
O5	0.006 (2)	0.021 (3)	0.015 (2)	0.002 (2)	0.0018 (19)	−0.005 (2)
O6	0.010 (2)	0.013 (3)	0.011 (2)	−0.0024 (19)	0.0025 (19)	−0.0004 (19)
O7	0.011 (2)	0.012 (3)	0.015 (2)	−0.002 (2)	0.006 (2)	−0.0038 (19)
O8	0.010 (2)	0.020 (3)	0.013 (2)	0.004 (2)	0.0054 (19)	0.002 (2)
O9	0.007 (2)	0.015 (2)	0.011 (2)	−0.004 (2)	0.0002 (18)	−0.003 (2)
O10	0.005 (2)	0.019 (3)	0.007 (2)	−0.0004 (19)	0.0035 (18)	−0.0024 (19)
O11	0.014 (3)	0.017 (3)	0.010 (2)	0.001 (2)	0.010 (2)	0.001 (2)
O12	0.019 (3)	0.013 (3)	0.007 (2)	−0.002 (2)	0.002 (2)	0.0045 (19)

Geometric parameters (Å, º)

Yb—O8^i	2.253 (5)	P2—O4	1.474 (5)
Yb—O3	2.291 (5)	P2—O5	1.480 (5)
Yb—O4^ii	2.300 (5)	P2—O12^ii	1.590 (5)
Yb—O1^iii	2.339 (5)	P2—O2^ii	1.599 (5)
Yb—O5	2.337 (5)	P2—Rb^ii	3.681 (2)
Yb—O11	2.355 (5)	P3—O11^vi	1.477 (5)
Yb—O9	2.364 (5)	P3—O6	1.488 (5)
Yb—O6^iv	2.412 (5)	P3—O10^vii	1.595 (5)
Yb—P4	3.5025 (18)	P3—O7	1.609 (5)
Yb—P3^iv	3.5196 (18)	P3—Yb^iv	3.5196 (18)
Yb—Rb	4.0215 (9)	P4—O8	1.483 (5)
Yb—Rb^ii	4.3152 (10)	P4—O9	1.489 (5)
Rb—O4	2.915 (5)	P4—O12^x	1.604 (5)
Rb—O1^v	2.962 (5)	P4—O10	1.609 (5)
Rb—O11^vi	2.970 (5)	O1—Yb^iii	2.339 (5)
Rb—O6	3.000 (5)	O1—Rb^ix	2.962 (5)
Rb—O2	3.164 (5)	O2—P2^viii	1.599 (5)
Rb—O3	3.168 (5)	O4—Yb^viii	2.300 (5)
Rb—O5	3.193 (5)	O5—Rb^ii	3.504 (5)
Rb—O7^vii	3.265 (5)	O6—Yb^iv	2.412 (5)
Rb—O9	3.326 (5)	O7—P1^iv	1.601 (5)
Rb—O12	3.463 (5)	O7—Rb^xi	3.265 (5)
Rb—P3	3.4796 (19)	O8—Yb^vi	2.253 (5)
Rb—O5^viii	3.504 (5)	O10—P3^xi	1.595 (5)
P1—O3	1.477 (5)	O11—P3^i	1.477 (5)
P1—O1	1.479 (5)	O11—Rb^i	2.970 (5)
P1—O7^iv	1.601 (5)	O12—P2^viii	1.590 (5)
P1—O2	1.610 (5)	O12—P4^xii	1.604 (5)
P1—Rb^ix	3.695 (2)
O8^i—Yb—O3	80.51 (18)	O6—Rb—P3	25.18 (10)
O8^i—Yb—O4^ii	116.63 (18)	O2—Rb—P3	143.14 (10)
O3—Yb—O4^ii	140.91 (18)	O3—Rb—P3	154.20 (11)
O8^i—Yb—O1^iii	71.65 (18)	O5—Rb—P3	121.50 (10)
O3—Yb—O1^iii	83.67 (18)	O7^vii—Rb—P3	64.64 (9)
O4^ii—Yb—O1^iii	70.81 (17)	O9—Rb—P3	85.96 (9)
O8^i—Yb—O5	140.30 (18)	O12—Rb—P3	112.54 (9)
O3—Yb—O5	70.73 (18)	O4—Rb—O5^viii	51.42 (13)
O4^ii—Yb—O5	75.36 (18)	O1^v—Rb—O5^viii	53.59 (12)
O1^iii—Yb—O5	78.36 (18)	O11^vi—Rb—O5^viii	138.09 (13)
O8^i—Yb—O11	75.48 (18)	O6—Rb—O5^viii	135.50 (13)
O3—Yb—O11	142.76 (18)	O2—Rb—O5^viii	43.63 (12)
O4^ii—Yb—O11	76.06 (17)	O3—Rb—O5^viii	62.28 (13)
O1^iii—Yb—O11	114.32 (16)	O5—Rb—O5^viii	82.41 (2)
O5—Yb—O11	142.25 (18)	O7^vii—Rb—O5^viii	80.78 (12)
O8^i—Yb—O9	142.46 (17)	O9—Rb—O5^viii	128.79 (12)
O3—Yb—O9	107.00 (18)	O12—Rb—O5^viii	42.07 (12)
O4^ii—Yb—O9	81.08 (17)	P3—Rb—O5^viii	143.41 (9)
O1^iii—Yb—O9	144.61 (17)	O3—P1—O1	121.0 (3)
O5—Yb—O9	73.97 (17)	O3—P1—O7^iv	110.8 (3)
O11—Yb—O9	77.69 (17)	O1—P1—O7^iv	106.0 (3)
O8^i—Yb—O6^iv	77.00 (17)	O3—P1—O2	107.8 (3)
O3—Yb—O6^iv	70.55 (17)	O1—P1—O2	110.4 (3)
O4^ii—Yb—O6^iv	144.63 (17)	O7^iv—P1—O2	98.3 (3)
O1^iii—Yb—O6^iv	142.15 (17)	O3—P1—Rb^ix	157.9 (2)
O5—Yb—O6^iv	116.22 (17)	O1—P1—Rb^ix	49.7 (2)
O11—Yb—O6^iv	76.54 (17)	O7^iv—P1—Rb^ix	62.01 (18)
O9—Yb—O6^iv	71.55 (16)	O2—P1—Rb^ix	94.2 (2)
O8^i—Yb—P4	156.26 (13)	O3—P1—Rb	54.7 (2)
O3—Yb—P4	114.82 (13)	O1—P1—Rb	150.9 (2)
O4^ii—Yb—P4	63.63 (12)	O7^iv—P1—Rb	101.48 (18)
O1^iii—Yb—P4	125.81 (12)	O2—P1—Rb	55.5 (2)
O5—Yb—P4	63.41 (13)	Rb^ix—P1—Rb	144.73 (6)
O11—Yb—P4	81.96 (12)	O4—P2—O5	118.2 (3)
O9—Yb—P4	19.19 (12)	O4—P2—O12^ii	110.5 (3)
O6^iv—Yb—P4	90.74 (11)	O5—P2—O12^ii	109.0 (3)
O8^i—Yb—P3^iv	59.09 (13)	O4—P2—O2^ii	110.3 (3)
O3—Yb—P3^iv	62.33 (13)	O5—P2—O2^ii	108.4 (3)
O4^ii—Yb—P3^iv	156.75 (13)	O12^ii—P2—O2^ii	98.6 (3)
O1^iii—Yb—P3^iv	122.81 (12)	O4—P2—Rb	53.8 (2)
O5—Yb—P3^iv	123.65 (14)	O5—P2—Rb	64.7 (2)
O11—Yb—P3^iv	80.89 (13)	O12^ii—P2—Rb	126.9 (2)
O9—Yb—P3^iv	91.18 (12)	O2^ii—P2—Rb	134.3 (2)
O6^iv—Yb—P3^iv	19.64 (11)	O4—P2—Rb^ii	168.4 (2)
P4—Yb—P3^iv	110.36 (4)	O5—P2—Rb^ii	71.5 (2)
O8^i—Yb—Rb	125.11 (14)	O12^ii—P2—Rb^ii	69.6 (2)
O3—Yb—Rb	51.84 (13)	O2^ii—P2—Rb^ii	58.8 (2)
O4^ii—Yb—Rb	117.65 (12)	Rb—P2—Rb^ii	136.06 (6)
O1^iii—Yb—Rb	120.11 (13)	O11^vi—P3—O6	116.9 (3)
O5—Yb—Rb	52.52 (13)	O11^vi—P3—O10^vii	107.9 (3)
O11—Yb—Rb	125.40 (11)	O6—P3—O10^vii	111.2 (3)
O9—Yb—Rb	55.76 (13)	O11^vi—P3—O7	109.0 (3)
O6^iv—Yb—Rb	63.71 (11)	O6—P3—O7	108.8 (3)
P4—Yb—Rb	63.69 (3)	O10^vii—P3—O7	102.0 (3)
P3^iv—Yb—Rb	73.93 (3)	O11^vi—P3—Rb	57.8 (2)
O8^i—Yb—Rb^ii	109.77 (13)	O6—P3—Rb	59.07 (19)
O3—Yb—Rb^ii	103.25 (13)	O10^vii—P3—Rb	129.2 (2)
O4^ii—Yb—Rb^ii	39.06 (13)	O7—P3—Rb	128.73 (19)
O1^iii—Yb—Rb^ii	40.64 (12)	O11^vi—P3—Yb^iv	149.9 (2)
O5—Yb—Rb^ii	54.17 (13)	O6—P3—Yb^iv	33.00 (19)
O11—Yb—Rb^ii	111.43 (12)	O10^vii—P3—Yb^iv	90.31 (19)
O9—Yb—Rb^ii	104.20 (12)	O7—P3—Yb^iv	89.63 (19)
O6^iv—Yb—Rb^ii	170.36 (11)	Rb—P3—Yb^iv	92.05 (4)
P4—Yb—Rb^ii	85.20 (3)	O8—P4—O9	118.4 (3)
P3^iv—Yb—Rb^ii	161.86 (3)	O8—P4—O12^x	109.7 (3)
Rb—Yb—Rb^ii	106.683 (15)	O9—P4—O12^x	110.8 (3)
O4—Rb—O1^v	54.42 (14)	O8—P4—O10	107.5 (3)
O4—Rb—O11^vi	99.00 (14)	O9—P4—O10	110.1 (3)
O1^v—Rb—O11^vi	85.77 (14)	O12^x—P4—O10	98.4 (3)
O4—Rb—O6	142.98 (13)	O8—P4—Yb	110.0 (2)
O1^v—Rb—O6	98.05 (13)	O9—P4—Yb	31.48 (19)
O11^vi—Rb—O6	50.08 (14)	O12^x—P4—Yb	87.94 (19)
O4—Rb—O2	89.44 (14)	O10—P4—Yb	137.13 (18)
O1^v—Rb—O2	91.34 (13)	O8—P4—Rb	67.5 (2)
O11^vi—Rb—O2	167.11 (13)	O9—P4—Rb	53.3 (2)
O6—Rb—O2	118.21 (14)	O12^x—P4—Rb	147.1 (2)
O4—Rb—O3	73.31 (13)	O10—P4—Rb	113.9 (2)
O1^v—Rb—O3	113.31 (13)	Yb—P4—Rb	64.49 (3)
O11^vi—Rb—O3	145.61 (14)	P1—O1—Yb^iii	142.4 (3)
O6—Rb—O3	143.52 (13)	P1—O1—Rb^ix	107.9 (2)
O2—Rb—O3	46.43 (13)	Yb^iii—O1—Rb^ix	108.41 (17)
O4—Rb—O5	48.79 (13)	P2^viii—O2—P1	129.8 (3)
O1^v—Rb—O5	102.94 (13)	P2^viii—O2—Rb	95.6 (2)
O11^vi—Rb—O5	99.53 (14)	P1—O2—Rb	99.7 (2)
O6—Rb—O5	141.49 (14)	P1—O3—Yb	140.6 (3)
O2—Rb—O5	93.36 (13)	P1—O3—Rb	102.9 (3)
O3—Rb—O5	49.81 (13)	Yb—O3—Rb	93.51 (16)
O4—Rb—O7^vii	100.66 (14)	P2—O4—Yb^viii	138.6 (3)
O1^v—Rb—O7^vii	46.25 (13)	P2—O4—Rb	102.2 (2)
O11^vi—Rb—O7^vii	76.57 (13)	Yb^viii—O4—Rb	111.14 (19)
O6—Rb—O7^vii	57.20 (13)	P2—O5—Yb	149.0 (3)
O2—Rb—O7^vii	92.37 (13)	P2—O5—Rb	90.6 (2)
O3—Rb—O7^vii	137.41 (14)	Yb—O5—Rb	91.97 (16)
O5—Rb—O7^vii	148.80 (13)	P2—O5—Rb^ii	84.9 (2)
O4—Rb—O9	98.07 (14)	Yb—O5—Rb^ii	93.09 (16)
O1^v—Rb—O9	145.46 (13)	Rb—O5—Rb^ii	174.93 (17)
O11^vi—Rb—O9	77.95 (13)	P3—O6—Yb^iv	127.4 (3)
O6—Rb—O9	94.50 (13)	P3—O6—Rb	95.7 (2)
O2—Rb—O9	110.67 (12)	Yb^iv—O6—Rb	136.85 (19)
O3—Rb—O9	70.33 (13)	P1^iv—O7—P3	130.7 (3)
O5—Rb—O9	51.39 (12)	P1^iv—O7—Rb^xi	92.3 (2)
O7^vii—Rb—O9	150.34 (12)	P3—O7—Rb^xi	135.0 (2)
O4—Rb—O12	89.65 (13)	P4—O8—Yb^vi	147.0 (3)
O1^v—Rb—O12	57.93 (13)	P4—O9—Yb	129.3 (3)
O11^vi—Rb—O12	127.26 (12)	P4—O9—Rb	105.7 (2)
O6—Rb—O12	95.14 (13)	Yb—O9—Rb	88.25 (15)
O2—Rb—O12	42.48 (12)	P3^xi—O10—P4	124.3 (3)
O3—Rb—O12	86.74 (13)	P3^i—O11—Yb	146.7 (3)
O5—Rb—O12	123.37 (12)	P3^i—O11—Rb^i	97.3 (2)
O7^vii—Rb—O12	50.74 (12)	Yb—O11—Rb^i	115.97 (17)
O9—Rb—O12	152.28 (12)	P2^viii—O12—P4^xii	133.6 (3)
O4—Rb—P3	121.61 (10)	P2^viii—O12—Rb	84.9 (2)
O1^v—Rb—P3	91.92 (10)	P4^xii—O12—Rb	141.4 (2)
O11^vi—Rb—P3	24.90 (10)

Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) −x+3/2, y+1/2, −z+3/2; (iii) −x+1, −y, −z+1; (iv) −x+1, −y, −z+2; (v) x+1/2, −y−1/2, z+1/2; (vi) x+1/2, −y+1/2, z+1/2; (vii) −x+3/2, y−1/2, −z+5/2; (viii) −x+3/2, y−1/2, −z+3/2; (ix) x−1/2, −y−1/2, z−1/2; (x) x, y+1, z; (xi) −x+3/2, y+1/2, −z+5/2; (xii) x, y−1, z.