Abstract
Structural parameters of lithium iodate-iodic acid solid solution Li 1- x H x IO 3 ( x = 0.28) have been refined at 60 K and at room temperature from single-crystal neutron diffraction data with a good reliability factor (about 2%). The lattice parameters are a = 5.494(7) Å, c = 4.924(2) Å at 60 K and a = 5.514(3) Å, c = 4.960(3) Å at RT. The proton does not replace the lithium atom but is located in a general position of the space group P6 3, x = 0.240(4), y = 0.299(4), and z = -0.042(6) at RT, and its thermal ellipsoid is well defined. Hydrogen sites are located on three of the six lateral edges of the distorted oxygen octahedron around the lithium site.
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