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Volume 69 
Part 3 
Pages i15-i16  
March 2013  

Received 16 January 2013
Accepted 30 January 2013
Online 6 February 2013

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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](O-C) = 0.007 Å
H completeness 0%
R = 0.020
wR = 0.057
Data-to-parameter ratio = 15.4
Details
Open access

Lanthanite-(Nd), Nd2(CO3)3·8H2O

Shaunna M. Morrison,a* Marcelo B. Andrade,a Michelle D. Wenz,a Kenneth J. Domanikb and Robert T. Downsa

aDepartment of Geosciences, University of Arizona, 1040 E. 4th Street, Tucson, Arizona 85721-0077, USA, and bLunar and Planetary Laboratory, University of Arizona, 1629 E. University Blvd, Tucson, AZ. 85721-0092, USA
Correspondence e-mail: shaunnamm@email.arizona.edu

Lanthanite-(Nd), ideally Nd2(CO3)3·8H2O [dineodymium(III) tricarbonate octahydrate], is a member of the lanthanite mineral group characterized by the general formula REE2(CO3)3·8H2O, where REE is a 10-coordinated rare earth element. Based on single-crystal X-ray diffraction of a natural sample from Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan, this study presents the first structure determination of lanthanite-(Nd). Its structure is very similar to that of other members of the lanthanite group. It is composed of infinite sheets made up of corner- and edge-sharing of two NdO10-polyhedra (both with site symmetry ..2) and two carbonate triangles (site symmetries ..2 and 1) parallel to the ab plane, and stacked perpendicular to c. These layers are linked to one another only through hydrogen bonding involving the water molecules.

Related literature

For background to the lanthanite mineral group, see: Berzelius (1825[Berzelius, J. (1825). Taschenbuch für die gesamte Mineralogie mit Hinsicht auf die neuesten Entdeckungen, 19, 193-218.]); Blake (1853[Blake, W. P. (1853). Am. J. Sci. 16, 228-230.]); Coutinho (1955[Coutinho, J. M. V. (1955). Bol. Fac. Fil. Ciênc. Letr. USP, 186, 119-126.]); Shinn & Eick (1968[Shinn, D. B. & Eick, H. A. (1968). Inorg. Chem. 7, 1340-1345.]); Ansell et al. (1976[Ansell, H. G., Pringle, G. J. & Roberts, A. C. (1976). Geol. Sur. Can. 76-1B, 353-355.]); Dal Negro et al. (1977[Dal Negro, A., Rossi, G. & Tazzoli, V. (1977). Am. Mineral. 62, 142-146.]); Cesbron et al. (1979[Cesbron, F., Sichère, M. C., Vachey, H., Cassedanne, J. P. & Cassedanne, J. O. (1979). Bull. Soc. Fr. Minéral. Cristallogr. 102, 342-347.]); Roberts et al. (1980[Roberts, A. C., Chao, G. Y. & Cesbron, F. (1980). Geol. Sur. Can. 80-1C, 141-142.]); Fujimori (1981[Fujimori, K. (1981). An. Acad. Bras. Ciênc. 53, 147-152.]); Svisero & Mascarenhas (1981[Svisero, D. P. & Mascarenhas, Y. (1981). Atas do 3° Simp. Reg. Geol., Núcleo S. P. 1, 295-304.]); Nagashima et al. (1986[Nagashima, K., Miyawaki, R., Takase, J., Nakai, I., Sakurai, K., Matsubara, S., Kato, A. & Iwano, S. (1986). Am. Mineral. 71, 1028-1033.]); Atencio et al. (1989[Atencio, D., Bevins, R. E., Fleischer, M., Williams, C. T. & Williams, P. A. (1989). Mineral. Mag. 53, 639-642.]); Coimbra et al. (1989[Coimbra, A. M., Coutinho, J. M. V., Atencio, D. & Iwanuchi, W. (1989). Can. Mineral. 27, 119-123.]); Graham et al. (2007[Graham, I. T., Pogson, R. E., Colchester, D. M., Hergt, J., Martin, R. & Williams, P. A. (2007). Can. Mineral. 45, 1389-1396.]). For information on dawsonite, see: Corazza et al. (1977[Corazza, E., Sabelli, C. & Vannucci, S. (1977). Neues Jahrb. Mineral. Monatsh. pp. 381-397.]). For details of rigid-body motion, see: Downs et al. (1992[Downs, R. T., Gibbs, G. V., Bartelmehs, K. L. & Boisen, M. B. (1992). Am. Mineral. 77, 751-757.]). For resources for bond-valence calculations, see: Brese & O'Keeffe (1991[Brese, N. E. & O'Keeffe, M. (1991). Acta Cryst. B47, 192-197.]).

Experimental

Crystal data

  • Nd2(CO3)3·8H2O

  • Mr = 612.64

  • Orthorhombic, P c c n

  • a = 8.9391 (4) Å

  • b = 9.4694 (4) Å

  • c = 16.9374 (8) Å

  • V = 1433.72 (11) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 7.25 mm-1

  • T = 296 K

  • 0.20 × 0.18 × 0.02 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2005[Sheldrick, G. M. (2005). SADABS. University of Göttingen, Germany.]) Tmin = 0.325, Tmax = 0.869

  • 9235 measured reflections

  • 1570 independent reflections

  • 1373 reflections with I > 2[sigma](I)

  • Rint = 0.018
Refinement

  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.057

  • S = 1.12

  • 1570 reflections

  • 102 parameters

  • H-atom parameters not refined

  • [Delta][rho]max = 0.81 e Å-3

  • [Delta][rho]min = -0.59 e Å-3

Table 1
Hydrogen-bond geometry (Å)

D-H...A D...A
OW1...O1 2.645 (4)
OW1...OW1i 2.772 (5)
OW1...OW4ii 2.792 (5)
OW1...OW3iii 2.795 (4)
OW2...O1iv 2.645 (3)
OW2...OW2i 2.786 (5)
OW2...O5 2.815 (4)
OW2...OW4i 2.833 (5)
OW3...O2v 2.626 (5)
OW3...OW1iv 2.795 (4)
OW3...O5 2.928 (4)
OW3...OW3vi 2.994 (6)
OW4...OW1vii 2.792 (5)
OW4...OW2i 2.833 (5)
OW4...OW4viii 2.909 (9)
OW4...OW2i 3.231 (6)
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z]; (ii) [-x+{\script{1\over 2}}, y, z-{\script{1\over 2}}]; (iii) [x+{\script{1\over 2}}, -y+1, -z+{\script{1\over 2}}]; (iv) [x-{\script{1\over 2}}, -y+1, -z+{\script{1\over 2}}]; (v) [x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (vi) [-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z]; (vii) [-x+{\script{1\over 2}}, y, z+{\script{1\over 2}}]; (viii) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XtalDraw (Downs & Hall-Wallace, 2003[Downs, R. T. & Hall-Wallace, M. (2003). Am. Mineral. 88, 247-250.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2719 ).

Acknowledgements

The authors gratefully acknowledge Marcus Origlieri for providing the lanthanite-(Nd) sample to the RRUFF Project. Funding support of this study was given by the Arizona Science Foundation, the Brazilian government (CNPq 202469/2011-5) and NASA NNX11AP82A, Mars Science Laboratory Investigations. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Aeronautics and Space Administration.

References

Ansell, H. G., Pringle, G. J. & Roberts, A. C. (1976). Geol. Sur. Can. 76-1B, 353-355.  [ChemPort]
Atencio, D., Bevins, R. E., Fleischer, M., Williams, C. T. & Williams, P. A. (1989). Mineral. Mag. 53, 639-642.  [CrossRef] [ChemPort]
Berzelius, J. (1825). Taschenbuch für die gesamte Mineralogie mit Hinsicht auf die neuesten Entdeckungen, 19, 193-218.
Blake, W. P. (1853). Am. J. Sci. 16, 228-230.
Brese, N. E. & O'Keeffe, M. (1991). Acta Cryst. B47, 192-197.  [CrossRef] [ISI] [details]
Bruker (2004). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Cesbron, F., Sichère, M. C., Vachey, H., Cassedanne, J. P. & Cassedanne, J. O. (1979). Bull. Soc. Fr. Minéral. Cristallogr. 102, 342-347.  [ChemPort]
Coimbra, A. M., Coutinho, J. M. V., Atencio, D. & Iwanuchi, W. (1989). Can. Mineral. 27, 119-123.  [ChemPort]
Corazza, E., Sabelli, C. & Vannucci, S. (1977). Neues Jahrb. Mineral. Monatsh. pp. 381-397.
Coutinho, J. M. V. (1955). Bol. Fac. Fil. Ciênc. Letr. USP, 186, 119-126.
Dal Negro, A., Rossi, G. & Tazzoli, V. (1977). Am. Mineral. 62, 142-146.  [ChemPort]
Downs, R. T., Gibbs, G. V., Bartelmehs, K. L. & Boisen, M. B. (1992). Am. Mineral. 77, 751-757.  [ChemPort]
Downs, R. T. & Hall-Wallace, M. (2003). Am. Mineral. 88, 247-250.  [ChemPort]
Fujimori, K. (1981). An. Acad. Bras. Ciênc. 53, 147-152.  [ChemPort]
Graham, I. T., Pogson, R. E., Colchester, D. M., Hergt, J., Martin, R. & Williams, P. A. (2007). Can. Mineral. 45, 1389-1396.  [CrossRef] [ChemPort]
Nagashima, K., Miyawaki, R., Takase, J., Nakai, I., Sakurai, K., Matsubara, S., Kato, A. & Iwano, S. (1986). Am. Mineral. 71, 1028-1033.  [ChemPort]
Roberts, A. C., Chao, G. Y. & Cesbron, F. (1980). Geol. Sur. Can. 80-1C, 141-142.  [ChemPort]
Sheldrick, G. M. (2005). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shinn, D. B. & Eick, H. A. (1968). Inorg. Chem. 7, 1340-1345.  [CrossRef] [ChemPort] [ISI]
Svisero, D. P. & Mascarenhas, Y. (1981). Atas do 3° Simp. Reg. Geol., Núcleo S. P. 1, 295-304.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]

Acta Cryst (2013). E69, i15-i16   [ doi:10.1107/S1600536813003164 ]

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