The crystal structure of iron(II) tetrametaphosphate, Fe₂P₄O₁₂

Abstract

Iron(II) tetrametaphosphate / Crystal structure / Rietveld techniqueAbstract. The preparation of Fe 2 P40 12 is described. The monoclinic (C2/ c) unit cell has the dimensions a = 11.942(2), b = 8.370(2), c = 9.936(2) A, Β -118.77(1)°, V =• 870.6(4) A 3 (Z = 4); Λ/ = 427.58 a.u., D X = 3.262g • cm -3 . The compound belongs to a family of isostructural Λ/ 2 Ρ 4 0 12 tetrametaphosphates, and its structure has been refined with the Rietveld full-profile technique utilizing neutron powder diffraction data down to R F -0.046 on the basis of 462 independent reflections (R P = 0.049, R WP = 0.066). The structure is built of two distinct types of Fe0 6 octahedra, both with an average Fe-Ο distance of 2.13(1) A, and ring-shaped P 4 Of 2 anions. A comparison with other known M2P4O12 structures is made, showing good correlation between metal-oxygen distances, Af 2+ cation radii and unit cell dimensions.

Redetermination of the crystal structures of nickel cyclotetraphosphate, Ni2P4O12 and of cobalt cyclotetraphosphate, CO2P4O12

“…0.0083 (7) 0.0113 (7) -0.0014(5) 0.0047 (6) 0.0017(6) 0(5) 8/ 0.0487 (2) 0.2578 (2) 0.4169 (2) 0.0079 (7) 0.0098 (7) 0.0088 (7) -0.0001(5) 0.0053(6) 0.0012 (5) …”

Iron‐phosphate glass‐ceramic anodes for lithium‐ion batteries

“…In addition, the crystal structure of Fe 2 (P 4 O 12 ) was reported to be built up of two kinds of distinct FeO 6 octahedrons and two PO 4 tetrahedra, preferentially in spherical small particles. 25 Therefore, some small particles that grow on the surface of prismatic crystals (Figure 2D) might be attributed to Fe 2 (P 4 O 12 ) crystals. The integrity of these two crystals was easily noticed.…”

“…This implies that there is still remaining glass phases in both oxidized and reduced samples even no glass transition peaks appear in their DSC curves. In addition, the crystal structure of Fe 2 (P 4 O 12 ) was reported to be built up of two kinds of distinct FeO 6 octahedrons and two PO 4 tetrahedra, preferentially in spherical small particles 25 . Therefore, some small particles that grow on the surface of prismatic crystals (Figure 2D) might be attributed to Fe 2 (P 4 O 12 ) crystals.…”

Thecyclo-tetraphosphate Cd2P4O12, a member of the isotypic seriesM2P4O12(M= Mg, Mn, Fe, Co, Ni, Cu)

“…The structure of the low-temperature -modification of the catena-polyphosphate Cd(PO 3 ) 2 was refined by Bagieu-Beucher et al (1974). For isotypic M II 2 P 4 O 12 structures, see: Nord & Lindberg (1975) for M = Mg; Glaum et al (2002) for Mn; Nord et al (1990) and Genkina et al (1985) for Fe; Nord (1982) and Olbertz et al (1998) for Co; Nord (1983) and Olbertz et al (1998) for Ni;Laü gt et al (1972) for Cu. A review on the crystal chemistry of phosphates was published by Durif (1995).…”

“…Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ATOMS for Windows (Dowty, 2006); software used to prepare material for publication: SHELXL97. (Nord & Lindberg, 1975), Mn 2 P 4 O 12 (Glaum et al, 2002), Fe 2 P 4 O 12 (Nord et al, 1990;Genkina et al, 1985), Co 2 P 4 O 12 (Nord, 1982;Olbertz et al, 1998), Ni 2 P 4 O 12 (Nord, 1983;Olbertz et al, 1998) and Cu 2 P 4 O 12 (Laügt et al, 1972). During experiments intended for crystal growth of large single crystals of the low-temperature modification of cadmium catena-polyphosphate, α-Cd(PO 3 ) 2 (Bagieu-Beucher et al, 1974), single crystals of the title compound were obtained instead.…”