The crystal structure described by GaMgBO4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Ga(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form GaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Ga(1) atoms to form OMgGa3 tetrahedra that share corners with two equivalent O(1)MgGa3 tetrahedra, corners with five equivalent O(4)Mg2GaB tetrahedra, and edges with two equivalent O(1)MgGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Ga(1), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ga(1), and one B(1) atom to form distorted OMg2GaB tetrahedra that share corners with two equivalent O(4)Mg2GaB tetrahedra and corners with five equivalent O(1)MgGa3 tetrahedra. is represented by the CIF card [CIF]
data_MgGaBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.114
_cell_length_b   9.316
_cell_length_c   9.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.659
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.250  0.604  0.187  1.0
  Mg  Mg1  1  0.750  0.396  0.813  1.0
  Mg  Mg2  1  0.750  0.896  0.687  1.0
  Mg  Mg3  1  0.250  0.104  0.313  1.0
  Ga  Ga4  1  0.250  0.615  0.570  1.0
  Ga  Ga5  1  0.750  0.385  0.430  1.0
  Ga  Ga6  1  0.750  0.885  0.070  1.0
  Ga  Ga7  1  0.250  0.115  0.930  1.0
  B  B8  1  0.250  0.664  0.873  1.0
  B  B9  1  0.750  0.336  0.127  1.0
  B  B10  1  0.750  0.836  0.373  1.0
  B  B11  1  0.250  0.164  0.627  1.0
  O  O12  1  0.250  0.008  0.114  1.0
  O  O13  1  0.750  0.992  0.886  1.0
  O  O14  1  0.750  0.492  0.614  1.0
  O  O15  1  0.250  0.508  0.386  1.0
  O  O16  1  0.250  0.520  0.871  1.0
  O  O17  1  0.750  0.480  0.129  1.0
  O  O18  1  0.750  0.980  0.371  1.0
  O  O19  1  0.250  0.020  0.629  1.0
  O  O20  1  0.250  0.741  0.003  1.0
  O  O21  1  0.750  0.259  0.997  1.0
  O  O22  1  0.750  0.759  0.503  1.0
  O  O23  1  0.250  0.241  0.497  1.0
  O  O24  1  0.250  0.742  0.744  1.0
  O  O25  1  0.750  0.258  0.256  1.0
  O  O26  1  0.750  0.758  0.244  1.0
  O  O27  1  0.250  0.242  0.756  1.0
[/CIF]
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The crystal structure described by GaMgBO4 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with three equivalent Ga(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Ga(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form GaO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Ga(1) atoms to form OMgGa3 tetrahedra that share corners with two equivalent O(1)MgGa3 tetrahedra, corners with five equivalent O(4)Mg2GaB tetrahedra, and edges with two equivalent O(1)MgGa3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Ga(1), and one B(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Ga(1), and one B(1) atom to form distorted OMg2GaB tetrahedra that share corners with two equivalent O(4)Mg2GaB tetrahedra and corners with five equivalent O(1)MgGa3 tetrahedra. is represented by the CIF card [CIF]
data_MgGaBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.114
_cell_length_b   9.316
_cell_length_c   9.400
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   272.659
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.250  0.604  0.187  1.0
  Mg  Mg1  1  0.750  0.396  0.813  1.0
  Mg  Mg2  1  0.750  0.896  0.687  1.0
  Mg  Mg3  1  0.250  0.104  0.313  1.0
  Ga  Ga4  1  0.250  0.615  0.570  1.0
  Ga  Ga5  1  0.750  0.385  0.430  1.0
  Ga  Ga6  1  0.750  0.885  0.070  1.0
  Ga  Ga7  1  0.250  0.115  0.930  1.0
  B  B8  1  0.250  0.664  0.873  1.0
  B  B9  1  0.750  0.336  0.127  1.0
  B  B10  1  0.750  0.836  0.373  1.0
  B  B11  1  0.250  0.164  0.627  1.0
  O  O12  1  0.250  0.008  0.114  1.0
  O  O13  1  0.750  0.992  0.886  1.0
  O  O14  1  0.750  0.492  0.614  1.0
  O  O15  1  0.250  0.508  0.386  1.0
  O  O16  1  0.250  0.520  0.871  1.0
  O  O17  1  0.750  0.480  0.129  1.0
  O  O18  1  0.750  0.980  0.371  1.0
  O  O19  1  0.250  0.020  0.629  1.0
  O  O20  1  0.250  0.741  0.003  1.0
  O  O21  1  0.750  0.259  0.997  1.0
  O  O22  1  0.750  0.759  0.503  1.0
  O  O23  1  0.250  0.241  0.497  1.0
  O  O24  1  0.250  0.742  0.744  1.0
  O  O25  1  0.750  0.258  0.256  1.0
  O  O26  1  0.750  0.758  0.244  1.0
  O  O27  1  0.250  0.242  0.756  1.0
[/CIF]
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