Information card for entry 1543081

Structure parameters

• Formula: Ag16 Mg16 Sb16
• Calculated formula: Ag Mg Sb
• Title of publication: Abinitio determination of crystal structures of the thermoelectric material MgAgSb
• Authors of publication: Kirkham, Melanie J.; dos Santos, Antonio M.; Rawn, Claudia J.; Lara-Curzio, Edgar; Sharp, Jeff W.; Thompson, Alan J.
• Journal of publication: Physical Review B
• Year of publication: 2012
• Journal volume: 85
• Pages of publication: 144120
• a: 9.1761 ± 0.0004 Å
• b: 9.1761 ± 0.0004 Å
• c: 12.696 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.01 ± 0.09 ų
• Number of distinct elements: 3
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.020997
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No