Related literature {#sec1}
==================

For related literature, see: Doran *et al.* (2002[@bb3]); Xu, Ding, Zhou & Liu (2006[@bb8]); Xu, Ding, Feng *et al.* (2006[@bb6]); Xu *et al.* (2007[@bb7]); Yuan *et al.* (2004[@bb9]); Zhang *et al.* (2004[@bb10]); Ding *et al.* (2006[@bb2]).

Experimental {#sec2}
============

 {#sec2.1}

### Crystal data {#sec2.1.1}

\[Nd(OH)(SO~4~)\]*M* *~r~* = 257.31Monoclinic,*a* = 4.4678 (9) Å*b* = 12.432 (2) Å*c* = 6.8575 (13) Åβ = 106.324 (3)°*V* = 365.53 (12) Å^3^*Z* = 4Mo *K*α radiationμ = 14.66 mm^−1^*T* = 293 (2) K0.10 × 0.08 × 0.06 mm

### Data collection {#sec2.1.2}

Bruker APEXII CCD diffractometerAbsorption correction: multi-scan (*SADABS*; Sheldrick, 2003[@bb4]) *T* ~min~ = 0.322, *T* ~max~ = 0.473 (expected range = 0.282--0.415)1837 measured reflections675 independent reflections669 reflections with *I* \> 2σ(*I*)*R* ~int~ = 0.013

### Refinement {#sec2.1.3}

*R*\[*F* ^2^ \> 2σ(*F* ^2^)\] = 0.022*wR*(*F* ^2^) = 0.056*S* = 1.24675 reflections67 parameters1 restraintH atoms treated by a mixture of independent and constrained refinementΔρ~max~ = 0.56 e Å^−3^Δρ~min~ = −2.27 e Å^−3^

 {#d5e393}

Data collection: *APEX2* (Bruker, 2005[@bb1]); cell refinement: *SAINT* (Bruker, 2005[@bb1]); data reduction: *SAINT*; program(s) used to solve structure: *SHELXS97* (Sheldrick, 2008[@bb5]); program(s) used to refine structure: *SHELXL97* (Sheldrick, 2008[@bb5]); molecular graphics: *SHELXTL* (Sheldrick, 2008[@bb5]); software used to prepare material for publication: *SHELXTL*.

Supplementary Material
======================

Crystal structure: contains datablocks global, I. DOI: [10.1107/S1600536808021818/br2079sup1.cif](http://dx.doi.org/10.1107/S1600536808021818/br2079sup1.cif)

Structure factors: contains datablocks I. DOI: [10.1107/S1600536808021818/br2079Isup2.hkl](http://dx.doi.org/10.1107/S1600536808021818/br2079Isup2.hkl)

Additional supplementary materials: [crystallographic information](http://scripts.iucr.org/cgi-bin/sendsupfiles?br2079&file=br2079sup0.html&mime=text/html); [3D view](http://scripts.iucr.org/cgi-bin/sendcif?br2079sup1&Qmime=cif); [checkCIF report](http://scripts.iucr.org/cgi-bin/paper?br2079&checkcif=yes)

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: [BR2079](http://scripts.iucr.org/cgi-bin/sendsup?br2079)).

The authors thank Dr Zhang for help with the structural analysis.

Comment
=======

In the last few years, the synthesis of new three dimensional lanthanide sulfates have received great attention, due to their functional applications in catalysis, ion-exchange, and optical device (Zhang *et al.*,2004; Yuan *et al.*, 2004; Xu, Ding, Feng *et al.*, 2006; Xu, Ding, Zhou & Liu, 2006; Doran *et al.*, 2002, Xu *et al.*, 2007). In this work, we designed and synthesized the title compound, neodymium(3+) sulfate hydroxide, which features a three--dimensional framework constructed from NdO~9~ polyhedra and SO~4~ tetrahedra.

Nd(SO~4~)(OH) is isostructural with La(SO~4~)(OH) (Zhang *et al.*,2004) and Eu(SO~4~)(OH)(Ding *et al.*,2006), the framework of title compound constructed from NdO~9~ polyhedra and SO~4~ tetrahedra. As show in Fig. 1, the asymmetric unit contains one Nd^3+^, one SO~4~^2--^ group and one hydroxide group. The Nd^3+^ is coordinated by six bridging sulfate ions, each S atom makes four S--O--Nd linkages by sharing the bridging O atoms. The coordination sphere of Nd is completed by three OH^-^ groups, which act as briding ligands between three Nd\^3+\^.

The O-H group is involved hydrogen bonding interactions with O1, O2 and O4, the distances of O---H···O are vary from 2.60 (2) to 2.90 (2) Å.

The Nd ---O distances are between of 2.374 (4)-- 2.800 (4)Å (Table 1)while the O---Nd---O angles are between 66.02 (13) and 141.55 (12)°. These bond distances and bond angles are in agreement with those found in the reported rare-earth compounds (Zhang *et al.*,2004; Ding *et al.*,2006). The bond distances of S---O and angles of O---S---O are unexceptional. Fig. 2 shows the three-dimensional arrangement in the unit cell, displaying the way the different Nd^3+^ are connected by bridging hydroxide and sulfates groups.

Experimental {#experimental}
============

Pink block crystals were synthesized hydrothermally from a mixture of Nd(NO~3~)~3~.6H~2~O, 1,2-propane diamine, H~2~SO~4~ and water. In a typical synthesis, Nd(NO~3~)~3~.6H~2~O (0.6066 g) was dissolved in a mixture of 1,2-propane diamine (0.2205 g) and water (3.2 ml) followed by the addition of H~2~SO~4~ (98%) (0.3093 g) with constant stirring. Finally, the mixture was kept in a 25 ml Teflon-lined steel autoclave at 180 °C for 7 days. After the autoclave was slowly cooled to room temperature, Pink block crystals of the title compound were obtained.

Refinement {#refinement}
==========

The H atom of water was located from difference map, while the distance of O---H was restrained as 0.85 (2) Å.

Figures
=======

![The molecular structure for title compound. Displacement ellipsoids at the 50% probability level.](e-64-00i49-fig1){#Fap1}

![The crystal packing in the unit cell of Nd(SO4)(OH).](e-64-00i49-fig2){#Fap2}

Crystal data {#tablewrapcrystaldatalong}
============

  ------------------------- --------------------------------------
  \[Nd(OH)(SO~4~)\]         *F*~000~ = 468
  *M~r~* = 257.31           *D*~x~ = 4.676 Mg m^−3^
  Monoclinic, *P*2~1~/*n*   Mo *K*α radiation λ = 0.71073 Å
  Hall symbol: -P 2yn       Cell parameters from 150 reflections
  *a* = 4.4678 (9) Å        θ = 2.3--22.5º
  *b* = 12.432 (2) Å        µ = 14.66 mm^−1^
  *c* = 6.8575 (13) Å       *T* = 293 (2) K
  β = 106.324 (3)º          Block, pink
  *V* = 365.53 (12) Å^3^    0.10 × 0.08 × 0.06 mm
  *Z* = 4                   
  ------------------------- --------------------------------------

Data collection {#tablewrapdatacollectionlong}
===============

  ------------------------------------------------------------ -------------------------------------
  Bruker APEXII CCD diffractometer                             675 independent reflections
  Radiation source: fine-focus sealed tube                     669 reflections with *I* \> 2σ(*I*)
  Monochromator: graphite                                      *R*~int~ = 0.013
  *T* = 293(2) K                                               θ~max~ = 25.5º
  ω scans                                                      θ~min~ = 3.3º
  Absorption correction: multi-scan(SADABS; Sheldrick, 2003)   *h* = −3→5
  *T*~min~ = 0.322, *T*~max~ = 0.473                           *k* = −14→15
  1837 measured reflections                                    *l* = −7→8
  ------------------------------------------------------------ -------------------------------------

Refinement {#tablewraprefinementdatalong}
==========

  ---------------------------------------------------------------- --------------------------------------------------------------------------------------------------
  Refinement on *F*^2^                                             Secondary atom site location: difference Fourier map
  Least-squares matrix: full                                       Hydrogen site location: difference Fourier map
  *R*\[*F*^2^ \> 2σ(*F*^2^)\] = 0.022                              H atoms treated by a mixture of independent and constrained refinement
  *wR*(*F*^2^) = 0.056                                               *w* = 1/\[σ^2^(*F*~o~^2^) + (0.035*P*)^2^ + 0.7631*P*\] where *P* = (*F*~o~^2^ + 2*F*~c~^2^)/3
  *S* = 1.24                                                       (Δ/σ)~max~ = 0.001
  675 reflections                                                  Δρ~max~ = 0.56 e Å^−3^
  67 parameters                                                    Δρ~min~ = −2.27 e Å^−3^
  1 restraint                                                      Extinction correction: none
  Primary atom site location: structure-invariant direct methods   
  ---------------------------------------------------------------- --------------------------------------------------------------------------------------------------

Special details {#specialdetails}
===============

  -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
  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 *F*^2^ 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 *F*^2^. 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 *F*^2^ 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 (Å^2^) {#tablewrapcoords}
==================================================================================================

  ----- ------------- -------------- -------------- -------------------- --
        *x*           *y*            *z*            *U*~iso~\*/*U*~eq~   
  Nd1   0.14116 (6)   0.93569 (2)    0.80136 (4)    0.00655 (15)         
  S1    0.4852 (3)    0.85400 (10)   0.38900 (18)   0.0059 (3)           
  O1    0.3672 (9)    0.8343 (3)     0.5628 (6)     0.0136 (8)           
  O2    0.2485 (9)    0.9040 (3)     0.2196 (6)     0.0127 (8)           
  O3    0.7563 (9)    0.9295 (3)     0.4498 (6)     0.0105 (8)           
  O4    0.5923 (9)    0.7539 (3)     0.3200 (6)     0.0129 (8)           
  O5    0.3028 (9)    1.0847 (3)     1.0385 (6)     0.0081 (7)           
  H1    0.295 (14)    1.148 (2)      0.997 (9)      0.010\*              
  ----- ------------- -------------- -------------- -------------------- --

Atomic displacement parameters (Å^2^) {#tablewrapadps}
=====================================

  ----- ------------- ------------- ------------- -------------- -------------- --------------
        *U*^11^       *U*^22^       *U*^33^       *U*^12^        *U*^13^        *U*^23^
  Nd1   0.0075 (2)    0.0051 (2)    0.0073 (2)    0.00001 (8)    0.00245 (14)   −0.00073 (8)
  S1    0.0073 (6)    0.0040 (6)    0.0068 (6)    0.0003 (4)     0.0026 (5)     −0.0001 (4)
  O1    0.0172 (19)   0.0129 (19)   0.0136 (19)   0.0013 (16)    0.0093 (16)    0.0003 (15)
  O2    0.0096 (18)   0.0133 (18)   0.0131 (18)   0.0026 (16)    −0.0002 (15)   0.0032 (15)
  O3    0.0088 (19)   0.008 (2)     0.015 (2)     −0.0023 (13)   0.0036 (16)    −0.0004 (13)
  O4    0.0196 (19)   0.0066 (19)   0.015 (2)     0.0037 (15)    0.0092 (17)    −0.0002 (14)
  O5    0.0080 (18)   0.0034 (16)   0.0122 (18)   0.0005 (14)    0.0016 (14)    0.0027 (14)
  ----- ------------- ------------- ------------- -------------- -------------- --------------

Geometric parameters (Å, °) {#tablewrapgeomlong}
===========================

  ------------------------- ------------- -------------------------- -------------
  Nd1---O4^i^               2.374 (4)     S1---O1                    1.453 (4)
  Nd1---O5^ii^              2.431 (4)     S1---O4                    1.459 (4)
  Nd1---O5                  2.437 (4)     S1---O2                    1.470 (4)
  Nd1---O1                  2.492 (4)     S1---O3                    1.496 (4)
  Nd1---O3^iii^             2.535 (4)     O2---Nd1^vi^               2.624 (4)
  Nd1---O5^iv^              2.536 (4)     O2---Nd1^viii^             2.800 (4)
  Nd1---O3^v^               2.538 (4)     O3---Nd1^iii^              2.535 (4)
  Nd1---O2^vi^              2.624 (4)     O3---Nd1^ix^               2.538 (4)
  Nd1---O2^vii^             2.800 (4)     O4---Nd1^x^                2.374 (4)
  Nd1---Nd1^iv^             3.6744 (7)    O5---Nd1^ii^               2.431 (4)
  Nd1---Nd1^ii^             3.9178 (7)    O5---Nd1^iv^               2.536 (4)
                                                                     
  O4^i^---Nd1---O5^ii^      88.26 (13)    O4^i^---Nd1---Nd1^iv^      109.65 (10)
  O4^i^---Nd1---O5          137.19 (13)   O5^ii^---Nd1---Nd1^iv^     103.34 (9)
  O5^ii^---Nd1---O5         72.81 (14)    O5---Nd1---Nd1^iv^         43.41 (9)
  O4^i^---Nd1---O1          66.02 (13)    O1---Nd1---Nd1^iv^         173.45 (9)
  O5^ii^---Nd1---O1         72.10 (13)    O3^iii^---Nd1---Nd1^iv^    112.42 (8)
  O5---Nd1---O1             136.35 (13)   O5^iv^---Nd1---Nd1^iv^     41.33 (8)
  O4^i^---Nd1---O3^iii^     136.85 (12)   O3^v^---Nd1---Nd1^iv^      115.79 (9)
  O5^ii^---Nd1---O3^iii^    91.10 (13)    O2^vi^---Nd1---Nd1^iv^     49.41 (8)
  O5---Nd1---O3^iii^        82.80 (13)    O2^vii^---Nd1---Nd1^iv^    45.37 (8)
  O1---Nd1---O3^iii^        72.80 (12)    O4^i^---Nd1---Nd1^ii^      115.94 (9)
  O4^i^---Nd1---O5^iv^      77.43 (13)    O5^ii^---Nd1---Nd1^ii^     36.45 (9)
  O5^ii^---Nd1---O5^iv^     128.19 (16)   O5---Nd1---Nd1^ii^         36.35 (9)
  O5---Nd1---O5^iv^         84.74 (13)    O1---Nd1---Nd1^ii^         105.03 (9)
  O1---Nd1---O5^iv^         138.09 (13)   O3^iii^---Nd1---Nd1^ii^    86.21 (9)
  O3^iii^---Nd1---O5^iv^    132.32 (12)   O5^iv^---Nd1---Nd1^ii^     109.06 (9)
  O4^i^---Nd1---O3^v^       88.46 (12)    O3^v^---Nd1---Nd1^ii^      151.19 (8)
  O5^ii^---Nd1---O3^v^      139.42 (13)   O2^vi^---Nd1---Nd1^ii^     97.41 (9)
  O5---Nd1---O3^v^          130.63 (11)   O2^vii^---Nd1---Nd1^ii^    58.27 (8)
  O1---Nd1---O3^v^          69.68 (13)    Nd1^iv^---Nd1---Nd1^ii^    72.017 (16)
  O3^iii^---Nd1---O3^v^     65.06 (14)    O1---S1---O4               110.5 (2)
  O5^iv^---Nd1---O3^v^      90.27 (13)    O1---S1---O2               111.9 (2)
  O4^i^---Nd1---O2^vi^      133.45 (13)   O4---S1---O2               109.4 (2)
  O5^ii^---Nd1---O2^vi^     133.02 (12)   O1---S1---O3               109.2 (2)
  O5---Nd1---O2^vi^         61.74 (12)    O4---S1---O3               108.2 (2)
  O1---Nd1---O2^vi^         137.14 (12)   O2---S1---O3               107.5 (2)
  O3^iii^---Nd1---O2^vi^    72.81 (13)    S1---O1---Nd1              139.5 (2)
  O5^iv^---Nd1---O2^vi^     60.80 (12)    S1---O2---Nd1^vi^          133.1 (2)
  O3^v^---Nd1---O2^vi^      73.07 (12)    S1---O2---Nd1^viii^        138.3 (2)
  O4^i^---Nd1---O2^vii^     78.28 (12)    Nd1^vi^---O2---Nd1^viii^   85.22 (11)
  O5^ii^---Nd1---O2^vii^    70.32 (12)    S1---O3---Nd1^iii^         120.8 (2)
  O5---Nd1---O2^vii^        59.36 (12)    S1---O3---Nd1^ix^          124.3 (2)
  O1---Nd1---O2^vii^        128.08 (12)   Nd1^iii^---O3---Nd1^ix^    114.94 (14)
  O3^iii^---Nd1---O2^vii^   141.03 (12)   S1---O4---Nd1^x^           155.2 (3)
  O5^iv^---Nd1---O2^vii^    58.11 (12)    Nd1^ii^---O5---Nd1         107.19 (14)
  O3^v^---Nd1---O2^vii^     147.55 (12)   Nd1^ii^---O5---Nd1^iv^     128.19 (16)
  O2^vi^---Nd1---O2^vii^    94.78 (11)    Nd1---O5---Nd1^iv^         95.26 (12)
  ------------------------- ------------- -------------------------- -------------

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

Hydrogen-bond geometry (Å, °) {#tablewraphbondslong}
=============================

  ------------------ ---------- ---------- ----------- ---------------
  *D*---H···*A*      *D*---H    H···*A*    *D*···*A*   *D*---H···*A*
  O5---H1···O1^xi^   0.83 (3)   2.43 (3)   3.224 (5)   160 (6)
  ------------------ ---------- ---------- ----------- ---------------

Symmetry codes: (xi) −*x*+1/2, *y*+1/2, −*z*+3/2.

###### Hydrogen-bond geometry (Å, °)

  *D*---H⋯*A*     *D*---H    H⋯*A*      *D*⋯*A*     *D*---H⋯*A*
  --------------- ---------- ---------- ----------- -------------
  O5---H1⋯O1^i^   0.83 (3)   2.43 (3)   3.224 (5)   160 (6)

Symmetry code: (i) .
