Information card for entry 7037020

Structure parameters

• Common name: neodymium manganese zinc arsenide (3.3/0.9/3.1/6)
• Chemical name: neodymium manganese zinc arsenide (3.3/0.9/3.1/6)
• Formula: As6 Mn0.93 Nd3.33 Zn3.07
• Calculated formula: As6 Mn0.918 Nd3.339 Zn3.084
• 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: 4.1788 ± 0.0007 Å
• b: 4.1788 ± 0.0007 Å
• c: 61.727 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 933.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No