Information card for entry 7037024

Structure parameters

• Common name: neodymium zinc arsenide (4.4/4/7)
• Chemical name: neodymium zinc arsenide (4.4/4/7)
• Formula: As7 Nd4.4 Zn4
• Calculated formula: As7 Nd4.41 Zn4
• Title of publication: Narrowing the gap: from semiconductor to semimetal in the homologous series of rare-earth zinc arsenides RE2-yZn4As4·n(REAs) and Mn-substituted derivatives RE2-yMnxZn4-xAs4·n(REAs) (RE = La-Nd, Sm, Gd).
• Authors of publication: Lin, Xinsong; Tabassum, Danisa; Mar, Arthur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20254 - 20264
• a: 4.197 ± 0.003 Å
• b: 4.197 ± 0.003 Å
• c: 24.204 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 369.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No