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The two single\u2010crystal structures have <jats:italic>a<\/jats:italic>, <jats:italic>b<\/jats:italic>, and <jats:italic>c<\/jats:italic> axis lengths of 9.9013(7), 14.0033(10), 37.063(24) and 9.9251(3), 14.0212(7), 60.181(3)\u2005\u00c5, respectively and they crystallize in the space groups <jats:italic>Ccme<\/jats:italic> and <jats:italic>F<\/jats:italic>2<jats:italic>mm<\/jats:italic>, respectively (solved as (3+1)\u2010dimensional crystals their most convenient superspace group is <jats:italic>Xmmm<\/jats:italic>(00\u03b3)<jats:italic>s<\/jats:italic>00). The structures have two different structural components each with their own separate axis parameters. Powder data shows that the ratio of these separate axes (<jats:italic>S<\/jats:italic>\/<jats:italic>L<\/jats:italic>) varies from 1.615 to 1.64, values near the golden mean (1.618). For Pd<jats:sub>0.213<\/jats:sub>Cd<jats:sub>0.787<\/jats:sub>, different Pd and Cd site occupancies lead to variation in the <jats:italic>R<\/jats:italic> factor from 2.6\u20133.6\u2009%. The site occupancy pattern with the lowest <jats:italic>R<\/jats:italic> factor (among the 26\u2009820 variants studied) is the exact site occupancy pattern predicted by LDA\u2010DFT parameterized eH Mulliken charge populations. The phases can be understood through a chemical twinning principle found in \u03b3\u2010brass, the parent structure for the above phases (a relation with the MgCu<jats:sub>2<\/jats:sub> Laves phase is also noted). This twinning principle can be used to account for Cd and Pd site preferences. At the same time there is a clean separation among the Cd and Pd atoms for the two separate chain types at height <jats:italic>b<\/jats:italic>=0 and 1\/2. These results indicate that Cd:Pd stoichiometry plays a role in phase stability.<\/jats:p>","DOI":"10.1002\/chem.200600135","type":"journal-article","created":{"date-parts":[[2006,11,8]],"date-time":"2006-11-08T04:19:24Z","timestamp":1162959564000},"page":"1394-1410","source":"Crossref","is-referenced-by-count":40,"title":["Pd<sub>0.213<\/sub>Cd<sub>0.787<\/sub> and Pd<sub>0.235<\/sub>Cd<sub>0.765<\/sub> Structures: Their Long <i>c<\/i> Axis and Composite Crystals, Chemical Twinning, and Atomic Site Preferences"],"prefix":"10.1002","volume":"13","author":[{"given":"Joshua\u2005Teal","family":"Schmidt","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stephen","family":"Lee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel\u2005C.","family":"Fredrickson","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthias","family":"Conrad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Junliang","family":"Sun","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bernd","family":"Harbrecht","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2007,1,18]]},"reference":[{"key":"e_1_2_7_1_2","volume-title":"The Physics of Block Copolymers","author":"Hamley I. 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