One-dimensional IUSOOs
In the following table some compounds are collected having one-dimensional IUSOOs with two-periodic strong bond paths.
The complete set of data of the ICSD up to year 2012 has been considered to build this table.
The search has been restricted insofar as only IUSOOs with at most two
different elements have been looked for. Furthermore, no structures have been considered with multiple
occupation of single sites, with high R-value or no R-value given at all, or with comments which are provided
in the ICSD suggesting deficiencies in the data.
A further restriction for the selection has been that bond valences have been determined only for
pairs of atoms for which empirically determined bond valence parameters ('a') are given in the table
published at
http://www.iucr.org/resources/data/datasets/bond-valence-parameters
A single representative
has been chosen if a series of structure data with occupation of sites changing only slightly has been published
in a single reference. Furthermore, the result for the most recent publication has been selected if there are several
entries for the same structure formula.
The parameter 'multiplicity' gives information on the number of inequivalent two-periodic paths in a IUSOO.
If there are several IUSOOs in a structure which are not symmetrically equivalent (e.g. in CCaFKO3 one IUSOO contains
Ca-F paths, the second K-O paths) the maximal strength value is given for the IUSOO with weaker bonds.
CC |
Formula |
Spacegroup |
Year |
Max. strength |
Multiplicity |
|
|
|
|
of a IUSOO |
|
150299 | AgCl2Cs | Cmcm | 2004 | 1.21 | 1 |
180596 | B3Ca4LaO10 | C1m1 | 2011 | 1.43 | 2 |
185674 | B4O7Sr | Pmn2_1 | 2012 | 1.75 | 2 |
85060 | BaCoDy2O5 | Immm | 1989 | 1.82 | 1 |
52055 | BaCuO5Y2 | Pnma | 1996 | 1.26 | 2 |
72630 | BaEr2NiO5 | Immm | 1993 | 1.64 | 1 |
261188 | BaF4Mn | Cmc2_1 | 2010 | 1.26 | 1 |
182609 | BaF4Zn | Cmc2_1 | 2011 | 1.35 | 1 |
73826 | BaGd2NiO5 | Immm | 1993 | 1.66 | 1 |
72629 | BaHo2NiO5 | Immm | 1993 | 1.62 | 1 |
89641 | BaNiO5Y2 | Immm | 1999 | 1.63 | 1 |
67832 | BaNiO5Yb2 | Immm | 1993 | 1.66 | 1 |
167007 | Bi2PbS4 | Pnma | 2010 | 1.45 | 2 |
153946 | Bi2S3 | Pnma | 2005 | 1.48 | 2 |
262230 | CCaFKO3 | P_6m2 | 2011 | 1.41 | 4 |
166065 | CaFe2O4 | Pbnm | 2010 | 1.35 | 2 |
155955 | CaGa2O4 | Pnam | 2005 | 1.38 | 2 |
164185 | CaO4V2 | Pnam | 2009 | 1.34 | 2 |
31120 | ClKO3 | P12_1/m1 | 2002 | 1.22 | 2 |
411017 | CuGeO3 | Pbmm | 2000 | 1.53 | 2 |
659184 | EuO3 | C12/m1 | 1994 | 1.27 | 5 |
185792 | FeS4Sb2 | Pnam | 2012 | 1.77 | 2 |
411178 | MnS4Sb2 | C12/m1 | 2000 | 1.26 | 3 |
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