The material described by MgSb2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sb(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Sb(1) atoms to form corner-sharing OMg2Sb2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.004
_cell_length_b   5.549
_cell_length_c   12.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.150
_symmetry_Int_Tables_number   1
_cell_volume   268.417
_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
  Mg  Mg0  1  0.907  0.814  0.750  1.0
  Mg  Mg1  1  0.093  0.186  0.250  1.0
  Sb  Sb2  1  0.205  0.409  0.607  1.0
  Sb  Sb3  1  0.795  0.591  0.393  1.0
  Sb  Sb4  1  0.795  0.591  0.107  1.0
  Sb  Sb5  1  0.205  0.409  0.893  1.0
  O  O6  1  0.696  0.392  0.250  1.0
  O  O7  1  0.304  0.608  0.750  1.0
  O  O8  1  0.244  0.487  0.089  1.0
  O  O9  1  0.756  0.513  0.911  1.0
  O  O10  1  0.756  0.513  0.589  1.0
  O  O11  1  0.244  0.487  0.411  1.0
  O  O12  1  0.027  0.055  0.635  1.0
  O  O13  1  0.973  0.945  0.365  1.0
  O  O14  1  0.027  0.055  0.865  1.0
  O  O15  1  0.973  0.945  0.135  1.0
[/CIF]
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The material described by MgSb2O5 crystallizes in the orthorhombic Cmcm space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sb(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent Sb(1) atoms to form corner-sharing OMg2Sb2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSb2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.004
_cell_length_b   5.549
_cell_length_c   12.955
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.150
_symmetry_Int_Tables_number   1
_cell_volume   268.417
_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
  Mg  Mg0  1  0.907  0.814  0.750  1.0
  Mg  Mg1  1  0.093  0.186  0.250  1.0
  Sb  Sb2  1  0.205  0.409  0.607  1.0
  Sb  Sb3  1  0.795  0.591  0.393  1.0
  Sb  Sb4  1  0.795  0.591  0.107  1.0
  Sb  Sb5  1  0.205  0.409  0.893  1.0
  O  O6  1  0.696  0.392  0.250  1.0
  O  O7  1  0.304  0.608  0.750  1.0
  O  O8  1  0.244  0.487  0.089  1.0
  O  O9  1  0.756  0.513  0.911  1.0
  O  O10  1  0.756  0.513  0.589  1.0
  O  O11  1  0.244  0.487  0.411  1.0
  O  O12  1  0.027  0.055  0.635  1.0
  O  O13  1  0.973  0.945  0.365  1.0
  O  O14  1  0.027  0.055  0.865  1.0
  O  O15  1  0.973  0.945  0.135  1.0
[/CIF]
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