Ab Initio Crystal Structure Determination of VO(H2PO2)2.cntdot.H2O from X-ray and Neutron Powder Diffraction Data. A Monodimensional Vanadium(IV) Hypophosphite

Ab initiostructure determination of bethanechol chloride

“…Indeed, a series of ten data sets were proposed to be used as indexing benchmarks for the comparison of computer programs during an indexing round robin (Bergmann et al , 2004), including a synchrotron pattern which was the easiest to index, leading to FoMs: M 20 =168.0, F 20 =888.2 (0.0008, 30), and McM 20 =540.0. This synchrotron pattern, limited to 2θ max=28° at λ=0.6995 Å, is not used at the final Rietveld stage in this work because the corresponding sample either was not completely transformed into the stable polymorph or more probably suffered from its airplane low-pressure and low-temperature trip [such effects were observed for a vanadium hypophosphite (Le Bail et al , 1994)], and the line profiles show anisotropic broadening, contrarily to the sample selected here, prepared in conditions so as to obtain directly the stable polymorph.…”

The first three-dimensional vanadium hypophosphite

“…At the same time and to the best of our knowledge, only one vanadium hypophosphite has been isolated. It is hydrated and exhibits a one-dimensional structure (Le Bail et al, 1994) inorganic compounds…”

“…3c). While in oxovanadium(IV) hypophosphite (Le Bail et al, 1994), the one-dimensional aspect of the structure is related to the anisotropic environment of the vanadium, in the title compound the three-dimensionality is favored by the isotropic bonding scheme of the cation owing to its +3 oxidation state.…”

NaCo(H2PO2)3: Crystal structure and physical study

“…Several other simple phases are known, e.g., AH 2 PO 2 , A ¼ K, Rb, Cs [10], Mg(H 2 O) 6 (H 2 PO 2 ) 2 [11], Mn(H 2 PO 2 ) 2 .H 2 O [12], Co(H 2 O) 6 (H 2 PO 2 ) 2 [9,13], and Cu(H 2 PO 2 ) 2 [14]. Some powder crystallographic data are also known: M(H 2 PO 2 ) 2, Co(H2PO2)2.0.53H2O [15], and VO(H 2 PO 2 ) 2 .H 2 O [16]. This class of materials was studied in both chemistry and material science due to their industrial applications as mild reducing agents, reagents in catalytic syntheses and antioxidants [17,18].…”