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The Mg – Sc warwickite, MgScOBO 3 , is an example of a normal orthorhombic warwickite [ Pnam ,  a  = 9.490(1),  b  = 9.422(1),  c  = 3.2189(4) Å and  Z  = 4]. The structure has been refined to an  R  value of 0.043, using the 258 X-ray reflection intensities with  I  &gt; 3 ·  σ ( I ) and sin  θ / λ  ≤ 0.63 Å −1 . The ratios of divalent to trivalent ions (Mg 2+ :Sc 3+ ) at the two different metal sites are about 1:3 and 3:1, respectively. The investigation yields improved structural data for the common warwickite structure type. The Mg – Mn warwickite, Mg 0.76 Mn 1.24 OBO 3 , represents the first example of a distorted warwickite structure [ P 2 1 / a ,  a  = 9.370(2),  b  = 9.279(2),  c  = 3.181(1) Å,  β  = 85.65(2)° and  Z  = 4]. The derived structural model has been refined to an  R  value of 0.048 for the 385 X-ray reflection intensities with  I  &gt; 3 ·  σ ( I ) and sin  θ / λ  ≤ 0.65 Å −1 . The lowering of the symmetry, from orthorhombic for normal warwickites to monoclinic, is apparently due to structural effects caused by the Mn 3+  ions. The coordination octahedra around the main Mn 3+  sites are elongated with four shorter coplanar Mn – O bonds of 1.88 to 1.99 Å and two longer ones of 2.25 and 2.34 Å. The distributions of divalent and trivalent ions in the metal positions are similar to those in common warwickites.

Structural investigation of two synthetic warwickites: Undistorted orthorhombic MgScOBO 3 and distorted monoclinic Mg 0.76 Mn 1.24 OBO 3