The material structure described by BaMgTe2O7 crystallizes in the orthorhombic Ama2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO5 trigonal bipyramids that share corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. In the second Te site, Te(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mg(1), and one Te(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OBa2MgTe tetrahedra. is represented by the CIF file [CIF]
data_BaMgTe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.573
_cell_length_b   8.573
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   128.891
_symmetry_Int_Tables_number   1
_cell_volume   323.556
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.336  0.920  0.750  1.0
  Ba  Ba1  1  0.920  0.336  0.250  1.0
  Mg  Mg2  1  0.761  0.526  0.750  1.0
  Mg  Mg3  1  0.526  0.761  0.250  1.0
  Te  Te4  1  0.447  0.300  0.250  1.0
  Te  Te5  1  0.968  0.811  0.250  1.0
  Te  Te6  1  0.811  0.968  0.750  1.0
  Te  Te7  1  0.300  0.447  0.750  1.0
  O  O8  1  0.005  0.005  0.500  1.0
  O  O9  1  0.005  0.005  0.000  1.0
  O  O10  1  0.677  0.648  0.250  1.0
  O  O11  1  0.268  0.994  0.250  1.0
  O  O12  1  0.583  0.295  0.993  1.0
  O  O13  1  0.583  0.295  0.507  1.0
  O  O14  1  0.975  0.662  0.493  1.0
  O  O15  1  0.975  0.662  0.007  1.0
  O  O16  1  0.662  0.975  0.993  1.0
  O  O17  1  0.662  0.975  0.507  1.0
  O  O18  1  0.295  0.583  0.493  1.0
  O  O19  1  0.295  0.583  0.007  1.0
  O  O20  1  0.994  0.268  0.750  1.0
  O  O21  1  0.648  0.677  0.750  1.0
[/CIF]
.
The material structure described by BaMgTe2O7 crystallizes in the orthorhombic Ama2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms. Mg(1) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted MgO5 trigonal bipyramids that share corners with three equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. In the second Te site, Te(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form TeO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with three equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Te(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mg(1), and one Te(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), one Mg(1), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OBa2MgTe tetrahedra. is represented by the CIF file [CIF]
data_BaMgTe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.573
_cell_length_b   8.573
_cell_length_c   5.656
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   128.891
_symmetry_Int_Tables_number   1
_cell_volume   323.556
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.336  0.920  0.750  1.0
  Ba  Ba1  1  0.920  0.336  0.250  1.0
  Mg  Mg2  1  0.761  0.526  0.750  1.0
  Mg  Mg3  1  0.526  0.761  0.250  1.0
  Te  Te4  1  0.447  0.300  0.250  1.0
  Te  Te5  1  0.968  0.811  0.250  1.0
  Te  Te6  1  0.811  0.968  0.750  1.0
  Te  Te7  1  0.300  0.447  0.750  1.0
  O  O8  1  0.005  0.005  0.500  1.0
  O  O9  1  0.005  0.005  0.000  1.0
  O  O10  1  0.677  0.648  0.250  1.0
  O  O11  1  0.268  0.994  0.250  1.0
  O  O12  1  0.583  0.295  0.993  1.0
  O  O13  1  0.583  0.295  0.507  1.0
  O  O14  1  0.975  0.662  0.493  1.0
  O  O15  1  0.975  0.662  0.007  1.0
  O  O16  1  0.662  0.975  0.993  1.0
  O  O17  1  0.662  0.975  0.507  1.0
  O  O18  1  0.295  0.583  0.493  1.0
  O  O19  1  0.295  0.583  0.007  1.0
  O  O20  1  0.994  0.268  0.750  1.0
  O  O21  1  0.648  0.677  0.750  1.0
[/CIF]
.