The material structure described by MgTb2Cr2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Tb(2)O6 pentagonal pyramids, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Tb site, Tb(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted TbO6 pentagonal pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Tb(2)O6 pentagonal pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Tb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Tb(2)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Tb(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Tb(1), and one Cr(1) atom. In the third O site, O(3) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Tb(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Tb(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. is represented by the CIF file [CIF]
data_Tb2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.047
_cell_length_b   5.157
_cell_length_c   8.204
_cell_angle_alpha   111.704
_cell_angle_beta   111.256
_cell_angle_gamma   80.140
_symmetry_Int_Tables_number   1
_cell_volume   184.739
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.598  0.848  0.195  1.0
  Tb  Tb1  1  0.420  0.170  0.840  1.0
  Mg  Mg2  1  0.265  0.516  0.534  1.0
  Cr  Cr3  1  0.071  0.321  0.142  1.0
  Cr  Cr4  1  0.933  0.683  0.868  1.0
  O  O5  1  0.356  0.210  0.330  1.0
  O  O6  1  0.974  0.621  0.331  1.0
  O  O7  1  0.753  0.483  0.949  1.0
  O  O8  1  0.196  0.965  0.949  1.0
  O  O9  1  0.596  0.760  0.691  1.0
  O  O10  1  0.092  0.427  0.690  1.0
  O  O11  1  0.274  0.519  0.070  1.0
  O  O12  1  0.796  0.051  0.070  1.0
[/CIF]
.
The material structure described by MgTb2Cr2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Tb(2)O6 pentagonal pyramids, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Tb site, Tb(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted TbO6 pentagonal pyramids that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form CrO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Tb(2)O6 pentagonal pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CrO6 octahedra that share corners with two equivalent Tb(2)O6 pentagonal pyramids, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Tb(2)O6 pentagonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Tb(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Tb(1), and one Cr(1) atom. In the third O site, O(3) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Tb(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Tb(2), and one Cr(2) atom. In the seventh O site, O(7) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Tb(1), one Tb(2), one Cr(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OTb2Cr2 trigonal pyramids. is represented by the CIF file [CIF]
data_Tb2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.047
_cell_length_b   5.157
_cell_length_c   8.204
_cell_angle_alpha   111.704
_cell_angle_beta   111.256
_cell_angle_gamma   80.140
_symmetry_Int_Tables_number   1
_cell_volume   184.739
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.598  0.848  0.195  1.0
  Tb  Tb1  1  0.420  0.170  0.840  1.0
  Mg  Mg2  1  0.265  0.516  0.534  1.0
  Cr  Cr3  1  0.071  0.321  0.142  1.0
  Cr  Cr4  1  0.933  0.683  0.868  1.0
  O  O5  1  0.356  0.210  0.330  1.0
  O  O6  1  0.974  0.621  0.331  1.0
  O  O7  1  0.753  0.483  0.949  1.0
  O  O8  1  0.196  0.965  0.949  1.0
  O  O9  1  0.596  0.760  0.691  1.0
  O  O10  1  0.092  0.427  0.690  1.0
  O  O11  1  0.274  0.519  0.070  1.0
  O  O12  1  0.796  0.051  0.070  1.0
[/CIF]
.