Table 3. Fractional coordinates, multiplicity, Wyckoff letter and site symmetry in the four MDO polytypes and the family structure of Mg(H₂O)₂[TeO₂(OH)₄].

The coordinates were derived from the I4₁/a (MDO₁ and MDO₃), I\overline{4}2d (MDO₂ and MDO₄) and family structure refinements described in §3.8.

Atom	x	y	z	Multiplicity, Wyckoff letter, site symmetry
MDO1 (B112/m, c = 2c 0)
Te	0	0	0	2, a, 2/m
Mg	½	½	0	2, d, 2/m
O1	0	0	0.19082	2, g, ..2
O2	½	½	0.19786	2, g, ..2
O3	−0.1563	−0.3211	0	4, i, ..m
O3′	−0.3211	0.1563	0	4, i, ..m
MDO2 (Pcnm, c = 2c 0)
Te	0	0	0	2, a, \overline{1}
Mg	½	½	0	2, c, \overline{1}
O1	0	0	0.19074	4, e, ..2
O2	½	½	0.19780	4, f, ..2
O3	−0.1563	−0.3214	0	4, h, ..m
O3′	−0.3214	0.1563	0	4, h, ..m
MDO3 (I41/a, c = 4c 0)
Te	0	0	0	4, a, \overline{4}
Mg	½	½	0	4, b, \overline{4}
O1	0	0	0.09541	8, e, 2..
O2	½	½	0.09893	8, e, 2..
O3	−0.3211	−0.1563	−0.0020	16, f, 1
MDO4 (I\overline{4}2d, c = 4c 0)
Te	0	0	0	4, a, \overline{4}
Mg	½	½	0	4, b, \overline{4}
O1	0	0	0.09537	8, c, 2..
O2	½	½	0.09890	8, c, 2..
O3	−0.3214	−0.1563	−0.0015	16, e, 1
Family (F4/mmm, c = 2c 0)
Te/Mg	0	0	0	2, a, 4/mmm
O1/O2	0	0	0.19445	4, e, 4mm
O3	0.3318	0.1682	0	8, i, m2m.