Lithium manganese(II) diaqua­boro­phosphate monohydrate

Zhuang, R.-C.; Chen, X.-Y.; Mi, J.-X.

doi:10.1107/S1600536808018898

inorganic compounds

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ISSN: 2056-9890

Volume 64| Part 8| August 2008| Page i46

doi:10.1107/S1600536808018898

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Lithium manganese(II) diaquaborophosphate monohydrate

Rong-Chuan Zhuang,^a Xue-Yun Chen ^b and Jin-Xiao Mi ^a ^*

^aDepartment of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005, Fujian Province, People's Republic of China, and ^bDepartment of Chemistry and Biochemical Engineering, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, People's Republic of China
^*Correspondence e-mail: jxmi@xmu.edu.cn

(Received 23 May 2008; accepted 23 June 2008; online 5 July 2008)

The title compound, LiMn(H₂O)₂[BP₂O₈]·H₂O, is built up of an open framework of helical borophosphate ribbons interconnected by MnO₄(H₂O)₂ octahedra, forming one-dimensional channels along [001] occupied by Li⁺ cations and disordered H₂O molecules (site occupancy 0.5). The Li cations reside in two partially occupied sites [occupancies = 0.42 (3) and 0.289 (13)] near the helices.

Related literature

For related structures, see: Boy & Kniep (2001a ,b ) for LiCu(H₂O)₂[BP₂O₈]·(H₂O) and LiZn(H₂O)₂[BP₂O₈]·H₂O; Ge et al. (2003 ) for LiCd(H₂O)₂[BP₂O₈]·H₂O; Lin et al. (2008 ) for LiMg(H₂O)₂[BP₂O₈]·H₂O. For related literature, see: Ewald et al. (2006 ); Kniep et al. (1997 ).

Experimental

Crystal data

LiMn(H₂O)₂[BP₂O₈]·H₂O
M_r = 316.68
Hexagonal, P 6₅ 22
a = 9.5765 (4) Å
c = 15.857 (1) Å
V = 1259.4 (1) Å³
Z = 6
Mo Kα radiation
μ = 2.01 mm⁻¹
T = 295 (2) K
0.16 × 0.12 × 0.12 mm

Data collection

Rigaku AFC-7 CCD diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005 ) T_min = 0.740, T_max = 0.795
9731 measured reflections
1230 independent reflections
1223 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.040
wR(F²) = 0.097
S = 1.19
1230 reflections
85 parameters
1 restraint
Only H-atom coordinates refined
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.44 e Å⁻³
Absolute structure: Flack (1983 ), 443 Friedel pairs
Flack parameter: −0.01 (4)

Table 1
Selected geometric parameters (Å, °)

Mn1—O4ⁱ	2.133 (3)
Mn1—O3	2.139 (3)
Mn1—O5	2.311 (4)
P1—O3	1.504 (3)
P1—O4	1.510 (3)
P1—O1ⁱⁱ	1.553 (3)
P1—O2ⁱⁱⁱ	1.560 (2)
O5—H1	0.82 (7)
O5—H2	0.81 (2)
B1—O1^iv	1.463 (4)
B1—O2ⁱⁱ	1.470 (4)
Li1—O5ⁱⁱ	2.111 (4)
Li1—O3ⁱⁱ	2.112 (17)
Li2—O6^v	1.95 (3)
Li2—O6^vi	1.98 (3)
Li2—O4^v	2.11 (3)
Li2—O5^vii	2.18 (3)

B1^viii—O1—P1ⁱⁱ	129.4 (2)
B1—O2—P1^ix	131.1 (2)
P1—O3—Mn1	128.38 (17)
Symmetry codes: (i) $[y, -x+y+1, z+{\script{1\over 6}}]$ ; (ii) $[-y+1, -x+1, -z+{\script{1\over 6}}]$ ; (iii) x-y, -y+1, -z; (iv) $[-y+1, -x, -z+{\script{1\over 6}}]$ ; (v) $[-x+y+1, y, -z+{\script{1\over 2}}]$ ; (vi) $[y, x, -z+{\script{2\over 3}}]$ ; (vii) $[y, -x+y, z+{\script{1\over 6}}]$ ; (viii) x-1, y, z; (ix) x-y+1, -y+1, -z.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H1⋯O4^x	0.83 (7)	2.09 (7)	2.878 (5)	159.80
O5—H2⋯O2ⁱ	0.81 (4)	2.09 (5)	2.845 (5)	155.74
Symmetry codes: (i) $[y, -x+y+1, z+{\script{1\over 6}}]$ ; (x) $[-x+y, y, -z+{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2005 ) and ATOMS (Dowty, 2004 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808018898/mg2052sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808018898/mg2052Isup2.hkl

checkCIF report

Comment top

A large family of compounds contains helical borophosphate anions _∞¹[BP₂O₈]^3- with various combinations of metal cations (M^IM^II, M_0.5^IM^II, M^III) (Kniep et al., 1997; Ewald et al., 2006). To date, the only Li-containing members are LiM^II(H₂O)₂[BP₂O₈]^.H₂O (M^II = Cu, Zn, Cd, Mg) (Boy & Kniep, 2001a, 2001b; Ge et al., 2003; Lin et al., 2008). The structure of LiMn(H₂O)₂[BP₂O₈]^.H₂O is reported here.

The borophosphate helices, built up of four-membered rings of alternating BO₄ and PO₄ tetrahedra, extend along the 6₅ screw axis (Fig. 1 and 2). These helices are interconnected by Jahn-Teller-distorted Mn²⁺-centred octahedra, with four oxygen atoms (O3, O4) from PO₄ groups and two (O5) from water molecules at the vertices (Fig. 3). Unlike the compounds containing Cu and Zn (Boy & Kniep, 2001a, 2001b) but similar to those containing Cd and Mg (Ge et al., 2003; Lin et al., 2008), there are two distinct Li sites: Li1 is close to the outer wall of the borophosphate helices and Li2 is situated at the free loops (inner wall) of the helices. The sum of occupancies of these Li sites refines to almost unity, as required to maintain charge neutrality in the compound.

Related literature top

For related structures, see: Boy & Kniep (2001a,b) for LiCu(H₂O)₂[BP₂O₈].(H₂O) and LiZn(H₂O)₂[BP₂O₈].H₂O; Ge et al. (2003) for LiCd(H₂O)₂[BP₂O₈].H₂O; Lin et al. (2008) for LiMg(H₂O)₂[BP₂O₈].H₂O. For related literature, see: Ewald et al. (2006); Kniep et al. (1997).

Experimental top

LiMn(H₂O)₂[BP₂O₈].H₂O was obtained in the presence of boric acid as a flux. A mixture of 0.1149 g MnCO₃, 1.484 g H₃BO₃, and 0.6235 g LiH₂PO₄ was ground to a homogeneous powder, which was transferred to a teflon autoclave with 10 ml inline (degree of filling 10%) where it was heated at 443 K for four days.

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2005) and ATOMS (Dowty, 2004); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. Linkage of borophosphate helices in LiMn(H₂O)₂[BP₂O₈]^.H₂O through MnO₄(H₂O)₂ octahedra (BO₄, green tetrahedra; PO₄, orange tetrahedra; MnO₆, violet octahedra; Li, black spheres; H₂O, red spheres).
	Fig. 2. Section of LiMn(H₂O)₂[BP₂O₈]^.H₂O viewed along the c axis (colour scheme as in Fig. 1).
	Fig. 3. Coordination environment of Mn, B, and P atoms, with displacement ellipsoids drawn at the 50% probability level (symmetry codes: (i) -x+y, y, 1/2-z; (ii) 1-x, 1-x+y, 1/3-z; (iii) y,1-x+y, 1/6+z; (iv) 1-y,1-x, 1/6-z; (v) x-y, x,-1/6+z; (vi) 1+x-y, 1-y,-z, (vii) x-y, 1-y,-z; (viii) 1+x-y,1+x,-1/6+z).

Lithium manganese diaquaborophosphate monohydrate top

Crystal data top

LiMn(H₂O)₂[BP₂O₈]·H₂O	D_x = 2.505 Mg m⁻³
M_r = 316.68	Mo Kα radiation, λ = 0.71073 Å
Hexagonal, P6₅22	Cell parameters from 6263 reflections
Hall symbol: P 65 2 (0 0 1)	θ = 2.5–33.2°
a = 9.5765 (4) Å	µ = 2.01 mm⁻¹
c = 15.857 (1) Å	T = 295 K
V = 1259.4 (1) Å³	Hexagonal bipyramid, pale pink
Z = 6	0.16 × 0.12 × 0.12 mm
F(000) = 942

Data collection top

Rigaku AFC-7 CCD diffractometer	1230 independent reflections
Radiation source: fine-focus sealed tube	1223 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
Detector resolution: 14.6306 pixels mm^-1	θ_max = 30.0°, θ_min = 2.5°
thin–slice Δϕ=0.6 & Δω=0.6 scans	h = −13→13
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	k = −13→12
T_min = 0.740, T_max = 0.795	l = −19→22
9731 measured reflections

Refinement top

Refinement on F²	Hydrogen site location: difference Fourier map
Least-squares matrix: full	Only H-atom coordinates refined
R[F² > 2σ(F²)] = 0.040	w = 1/[σ²(F_o²) + (0.008P)² + 5.1269P] where P = (F_o² + 2F_c²)/3
wR(F²) = 0.097	(Δ/σ)_max < 0.001
S = 1.19	Δρ_max = 0.62 e Å⁻³
1230 reflections	Δρ_min = −0.44 e Å⁻³
85 parameters	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
1 restraint	Extinction coefficient: 0.0054 (19)
Primary atom site location: structure-invariant direct methods	Absolute structure: Flack (1983), 443 Friedel pairs
Secondary atom site location: difference Fourier map	Absolute structure parameter: −0.01 (4)

Crystal data top

LiMn(H₂O)₂[BP₂O₈]·H₂O	Z = 6
M_r = 316.68	Mo Kα radiation
Hexagonal, P6₅22	µ = 2.01 mm⁻¹
a = 9.5765 (4) Å	T = 295 K
c = 15.857 (1) Å	0.16 × 0.12 × 0.12 mm
V = 1259.4 (1) Å³

Data collection top

Rigaku AFC-7 CCD diffractometer	1230 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2005)	1223 reflections with I > 2σ(I)
T_min = 0.740, T_max = 0.795	R_int = 0.032
9731 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.040	Only H-atom coordinates refined
wR(F²) = 0.097	Δρ_max = 0.62 e Å⁻³
S = 1.19	Δρ_min = −0.44 e Å⁻³
1230 reflections	Absolute structure: Flack (1983), 443 Friedel pairs
85 parameters	Absolute structure parameter: −0.01 (4)
1 restraint

Special details top

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.

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	Occ. (<1)
Mn1	0.44888 (4)	0.89775 (9)	0.2500	0.0163 (2)
P1	0.61636 (10)	0.83327 (10)	0.08453 (6)	0.0134 (2)
O1	0.0204 (3)	0.2129 (3)	0.06593 (16)	0.0181 (5)
O2	0.7681 (3)	0.1804 (3)	0.01267 (14)	0.0158 (5)
O3	0.4860 (3)	0.8589 (4)	0.12112 (17)	0.0227 (6)
O4	0.6237 (4)	0.6903 (3)	0.11938 (17)	0.0228 (6)
O5	0.1884 (4)	0.7081 (4)	0.2127 (2)	0.0340 (8)
O6	0.9000 (19)	0.8166 (12)	0.2717 (7)	0.079 (3)*	0.50
B1	0.8493 (3)	0.1507 (3)	0.0833	0.0140 (9)
Li1	0.2428 (18)	0.7572 (18)	0.0833	0.034 (4)	0.42 (3)
Li2	0.899 (4)	0.763 (3)	0.3479 (16)	0.034 (4)	0.289 (13)
H1	0.133 (8)	0.683 (7)	0.256 (4)	0.041*
H2	0.179 (7)	0.620 (4)	0.218 (4)	0.041*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mn1	0.0170 (3)	0.0165 (4)	0.0153 (3)	0.00826 (18)	0.0028 (2)	0.000
P1	0.0153 (4)	0.0131 (4)	0.0113 (3)	0.0068 (3)	0.0011 (3)	−0.0005 (3)
O1	0.0139 (11)	0.0196 (12)	0.0200 (12)	0.0077 (10)	−0.0012 (9)	−0.0060 (9)
O2	0.0195 (12)	0.0185 (11)	0.0106 (9)	0.0104 (10)	−0.0029 (9)	−0.0024 (8)
O3	0.0222 (14)	0.0306 (15)	0.0177 (12)	0.0151 (12)	0.0028 (10)	−0.0046 (11)
O4	0.0348 (16)	0.0150 (12)	0.0177 (11)	0.0117 (11)	−0.0008 (12)	0.0022 (10)
O5	0.0280 (17)	0.0233 (15)	0.0393 (17)	0.0041 (13)	0.0118 (14)	−0.0065 (14)
B1	0.0157 (17)	0.0157 (17)	0.011 (2)	0.0083 (19)	0.0013 (16)	0.0013 (16)
Li1	0.036 (7)	0.036 (7)	0.023 (8)	0.012 (8)	0.003 (6)	0.003 (6)
Li2	0.036 (7)	0.036 (7)	0.023 (8)	0.012 (8)	0.003 (6)	0.003 (6)

Geometric parameters (Å, º) top

Mn1—O4ⁱ	2.133 (3)	O5—H1	0.82 (7)
Mn1—O4ⁱⁱ	2.133 (3)	O5—H2	0.81 (2)
Mn1—O3	2.139 (3)	O6—O6^ix	0.71 (2)
Mn1—O3ⁱⁱⁱ	2.139 (3)	O6—Li2	1.31 (3)
Mn1—O5	2.311 (4)	O6—Li2^ix	1.95 (3)
Mn1—O5ⁱⁱⁱ	2.311 (3)	O6—Li2^xii	1.98 (3)
P1—O3	1.504 (3)	O6—Li2^x	2.45 (3)
P1—O4	1.510 (3)	O6—Li1^xiii	2.53 (3)
P1—O1^iv	1.553 (3)	B1—O1^xiv	1.463 (4)
P1—O2^v	1.560 (2)	B1—O1^xv	1.463 (4)
O1—B1^vi	1.463 (4)	B1—O2^iv	1.470 (4)
O1—P1^iv	1.553 (3)	Li1—O5^iv	2.111 (4)
O1—Li2^vii	2.65 (3)	Li1—O3^iv	2.112 (17)
O2—B1	1.470 (4)	Li2—O6^ix	1.95 (3)
O2—P1^viii	1.560 (2)	Li2—O6^xii	1.98 (3)
O3—Li1	2.112 (17)	Li2—O4^ix	2.11 (3)
O4—Li2^ix	2.11 (3)	Li2—O5^xiii	2.18 (3)
O4—Mn1^x	2.133 (3)	Li2—Li2^xii	2.30 (6)
O5—Li1	2.111 (4)	Li2—O6ⁱ	2.45 (3)
O5—Li2^xi	2.18 (3)

O4ⁱ—Mn1—O4ⁱⁱ	97.89 (17)	O2—B1—O2^iv	102.6 (4)
O4ⁱ—Mn1—O3	100.17 (11)	O5^iv—Li1—O5	177.6 (17)
O4ⁱⁱ—Mn1—O3	91.22 (11)	O5^iv—Li1—O3^iv	85.4 (4)
O4ⁱ—Mn1—O3ⁱⁱⁱ	91.22 (11)	O5—Li1—O3^iv	96.0 (5)
O4ⁱⁱ—Mn1—O3ⁱⁱⁱ	100.17 (11)	O5^iv—Li1—O3	96.0 (5)
O3—Mn1—O3ⁱⁱⁱ	162.68 (17)	O5—Li1—O3	85.4 (4)
O4ⁱ—Mn1—O5	178.14 (13)	O3^iv—Li1—O3	112.6 (14)
O4ⁱⁱ—Mn1—O5	83.95 (13)	O5^iv—Li1—O6ⁱⁱ	80.8 (8)
O3—Mn1—O5	80.01 (12)	O5—Li1—O6ⁱⁱ	96.8 (9)
O3ⁱⁱⁱ—Mn1—O5	88.19 (12)	O3^iv—Li1—O6ⁱⁱ	122.4 (7)
O4ⁱ—Mn1—O5ⁱⁱⁱ	83.95 (13)	O3—Li1—O6ⁱⁱ	124.3 (8)
O4ⁱⁱ—Mn1—O5ⁱⁱⁱ	178.14 (14)	O5^iv—Li1—O6^xi	96.8 (9)
O3—Mn1—O5ⁱⁱⁱ	88.19 (12)	O5—Li1—O6^xi	80.8 (8)
O3ⁱⁱⁱ—Mn1—O5ⁱⁱⁱ	80.01 (12)	O3^iv—Li1—O6^xi	124.3 (8)
O5—Mn1—O5ⁱⁱⁱ	94.2 (2)	O3—Li1—O6^xi	122.4 (7)
O3—P1—O4	115.17 (17)	O6ⁱⁱ—Li1—O6^xi	16.0 (5)
O3—P1—O1^iv	111.97 (16)	O6—Li2—O6^ix	10.8 (10)
O4—P1—O1^iv	104.62 (16)	O6—Li2—O6^xii	90.8 (17)
O3—P1—O2^v	105.62 (15)	O6^ix—Li2—O6^xii	101.7 (15)
O4—P1—O2^v	111.81 (15)	O6—Li2—O4^ix	119.9 (19)
O1^iv—P1—O2^v	107.54 (14)	O6^ix—Li2—O4^ix	110.3 (14)
B1^vi—O1—P1^iv	129.4 (2)	O6^xii—Li2—O4^ix	138.2 (14)
B1—O2—P1^viii	131.1 (2)	O6—Li2—O5^xiii	117.8 (18)
P1—O3—Mn1	128.38 (17)	O6^ix—Li2—O5^xiii	114.8 (14)
Li1—O5—H1	157 (4)	O6^xii—Li2—O5^xiii	102.8 (13)
Li2^xi—O5—H1	93 (4)	O4^ix—Li2—O5^xiii	87.8 (11)
Mn1—O5—H1	107 (4)	O6—Li2—O6ⁱ	104.2 (18)
Li1—O5—H2	103 (4)	O6^ix—Li2—O6ⁱ	115.0 (14)
Li2^xi—O5—H2	162 (4)	O6^xii—Li2—O6ⁱ	13.8 (7)
Mn1—O5—H2	107 (4)	O4^ix—Li2—O6ⁱ	125.5 (12)
H1—O5—H2	84 (5)	O5^xiii—Li2—O6ⁱ	99.1 (11)
Li2—O6—Li2^ix	146 (2)	O6—Li2—O1^xvi	100.4 (16)
O1^xiv—B1—O1^xv	103.7 (4)	O6^ix—Li2—O1^xvi	100.1 (12)
O1^xiv—B1—O2	113.70 (14)	O6^xii—Li2—O1^xvi	89.1 (11)
O1^xv—B1—O2	111.75 (14)	O4^ix—Li2—O1^xvi	59.9 (8)
O1^xiv—B1—O2^iv	111.75 (14)	O5^xiii—Li2—O1^xvi	139.4 (13)
O1^xv—B1—O2^iv	113.70 (14)	O6ⁱ—Li2—O1^xvi	83.4 (9)

Symmetry codes: (i) y, −x+y+1, z+1/6; (ii) −x+1, −x+y+1, −z+1/3; (iii) −x+y, y, −z+1/2; (iv) −y+1, −x+1, −z+1/6; (v) x−y, −y+1, −z; (vi) x−1, y, z; (vii) −y+1, x−y, z−1/3; (viii) x−y+1, −y+1, −z; (ix) −x+y+1, y, −z+1/2; (x) x−y+1, x, z−1/6; (xi) x−y, x, z−1/6; (xii) y, x, −z+2/3; (xiii) y, −x+y, z+1/6; (xiv) −y+1, −x, −z+1/6; (xv) x+1, y, z; (xvi) −x+y+1, −x+1, z+1/3.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H1···O4ⁱⁱⁱ	0.83 (7)	2.09 (7)	2.878 (5)	159.80
O5—H2···O2ⁱ	0.81 (4)	2.09 (5)	2.845 (5)	156

Symmetry codes: (i) y, −x+y+1, z+1/6; (iii) −x+y, y, −z+1/2.

Experimental details

Crystal data
Chemical formula	LiMn(H₂O)₂[BP₂O₈]·H₂O
M_r	316.68
Crystal system, space group	Hexagonal, P6₅22
Temperature (K)	295
a, c (Å)	9.5765 (4), 15.857 (1)
V (Å³)	1259.4 (1)
Z	6
Radiation type	Mo Kα
µ (mm⁻¹)	2.01
Crystal size (mm)	0.16 × 0.12 × 0.12

Data collection
Diffractometer	Rigaku AFC-7 CCD diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2005)
T_min, T_max	0.740, 0.795
No. of measured, independent and observed [I > 2σ(I)] reflections	9731, 1230, 1223
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.703

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.040, 0.097, 1.19
No. of reflections	1230
No. of parameters	85
No. of restraints	1
H-atom treatment	Only H-atom coordinates refined
Δρ_max, Δρ_min (e Å⁻³)	0.62, −0.44
Absolute structure	Flack (1983), 443 Friedel pairs
Absolute structure parameter	−0.01 (4)

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2005) and ATOMS (Dowty, 2004).

Selected geometric parameters (Å, º) top

Mn1—O4ⁱ	2.133 (3)	B1—O1^iv	1.463 (4)
Mn1—O3	2.139 (3)	B1—O2ⁱⁱ	1.470 (4)
Mn1—O5	2.311 (4)	Li1—O5ⁱⁱ	2.111 (4)
P1—O3	1.504 (3)	Li1—O3ⁱⁱ	2.112 (17)
P1—O4	1.510 (3)	Li2—O6^v	1.95 (3)
P1—O1ⁱⁱ	1.553 (3)	Li2—O6^vi	1.98 (3)
P1—O2ⁱⁱⁱ	1.560 (2)	Li2—O4^v	2.11 (3)
O5—H1	0.82 (7)	Li2—O5^vii	2.18 (3)
O5—H2	0.81 (2)

B1^viii—O1—P1ⁱⁱ	129.4 (2)	P1—O3—Mn1	128.38 (17)
B1—O2—P1^ix	131.1 (2)

Symmetry codes: (i) y, −x+y+1, z+1/6; (ii) −y+1, −x+1, −z+1/6; (iii) x−y, −y+1, −z; (iv) −y+1, −x, −z+1/6; (v) −x+y+1, y, −z+1/2; (vi) y, x, −z+2/3; (vii) y, −x+y, z+1/6; (viii) x−1, y, z; (ix) x−y+1, −y+1, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H1···O4^x	0.83 (7)	2.09 (7)	2.878 (5)	159.80
O5—H2···O2ⁱ	0.81 (4)	2.09 (5)	2.845 (5)	155.74

Symmetry codes: (i) y, −x+y+1, z+1/6; (x) −x+y, y, −z+1/2.

Acknowledgements

This project was supported by a fund from the National Natural Science Foundation of China (No. 40472027).

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