Structure Determination and Refinement of Acid Strontium Oxalate from X-Ray and Neutron Powder Diffraction
The structure of acid strontium oxalate Sr(HC{sub 2}O{sub 4}){center_dot}1/2(C{sub 2}O{sub 4}){center_dot}H{sub 2}O has been determined by conventional X-ray powder diffractometry. The diffraction pattern was indexed from a monoclinic unit cell with cell parameters a=6.341(1) {angstrom}, b=16.880(2) {angstrom}, c=5.7798(8) {angstrom}, and {beta}=97.60(1){degree}; space group, P2{sub 1}/n (No. 14) with Z=4. Final (isotropic) Rietveld refinement of the neutron powder data yielded R{sub B}=4.57%, R{sub F}=2.87%, and R{sub wp}=7.87% as conventional Rietveld parameters. Strontium is eight-fold coordinated and can be described as a distorted bicapped trigonal prism. The SrO{sub 8} polyhedra form one-dimensional chains along the c-axis by sharing edges. In contrast to all other known strontium oxalates, in this compound H{sub 2}O acts as bridging ligand between two Sr atoms. SDPD-D classification (1): Sr(HC{sub 2}O{sub 4})- 1/2(C{sub 2}O{sub 4})-H{sub 2}O, P2{sub 1}/n, C1=14, Nc=42, C2=11, XC1+N/TREOR-97 and DICVOL-91, EXTRA, EQUI, SIRPOW-92 (DM), GFOURIER, FULLPROF.
- Research Organization:
- Laboratory of Inorganic and Physical Chemistry, IMO, Limburgs Universitair Centrum, 3590 Diepenbeek (BE); Laboratoire Leon Brillouin, CEA-CNRS, CEA/Saclay, Gif-sur-Yvette (FR)
- Sponsoring Organization:
- Fund for Scientific Research-Flanders (Belgium) (F.W.O.); Vakgroep Anorganische en Fysische Chemie, RUG (Belgium); European Commission TMR-LSF (Training and Mobility of Researchers-Access to Large Scale Facility) Program (US)
- OSTI ID:
- 784067
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 157; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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