caa a22 4500 378923420 CHVBK 20180305123611.0 cr unu---uuuuu 161128e20040501xx s 000 0 eng 10.1524/zkri.219.5.259.32744 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.5.259.32744 Revised Tl(I)-O bond valence parameters and the structures of thallous dichromate and thallous uranyl phosphate hydrate [Elektronische Daten] [Andrew J. Locock, Peter C. Burns] Thallium(I) has a 6s2 non-bonding pair of valence-shell electrons, and shows a wide range of coordination environments and mean bond distances to oxygen. Conventional bond valence parameters with B = 0.37 Å are not suitable for modelling the soft acid - hard base Tl(I)—O interactions. Revised bond valence parameters have been derived for these bonds using structural data taken from the Inorganic Crystal Structure Database and the Cambridge Structural Database for 130 Tl(I)—On polyhedra. Both bond valence parameters, R0 and B, were refined by minimizing the sum of the squared differences between the formal oxidation state and the experimental bond valence sums of the polyhedra. The recommended values for Tl(I)—O bonds are R0 = 1.927 Å, B = 0.50 Å, and for the assembled set of Tl—O poly hedra yield an average sum of 0.99 νu with a standard deviation of 0.12 νu. The effects of the revised Tl—O bond valence parameters upon structures containing different types of polyhedra of higher bond valence are examined with respect to the crystal structures of thallous di chromate and thallous uranyl phosphate hydrate. Crystallographic data - Tl2Cr2O7: triclinic, P1̅, a = 7.3150(15) Å, b = 7.4006(15) Å, c = 7.6673(16) Å, α = 109.941(4)°, β = 90.458(4)°, γ = 108.067(4)°, R1 = 5.9%; Tl2(UO2)[(UO2)(PO4)]4(H2O)2: monoclinic, Cm, a = 12.9798(9) Å, b = 15.1639(11) Å, c = 9.3384(6) Å, β = 132.310(1)°, R1 = 3.6%. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Locock Andrew J. aut Burns Peter C. aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/5(2004-05-01), 259-266 2194-4946 219:5<259 2004 219 zkri https://doi.org/10.1524/zkri.219.5.259.32744 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.5.259.32744 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Locock Andrew J. aut NATIONALLICENCE 700 1- Burns Peter C. aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/5(2004-05-01), 259-266 2194-4946 219:5<259 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter