The crystal structure described by MgAl2(PO5)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Al(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_MgAl2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.500
_cell_length_b   7.090
_cell_length_c   7.157
_cell_angle_alpha   61.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.966
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.232  0.227  0.268  1.0
  Al  Al3  1  0.732  0.273  0.732  1.0
  Al  Al4  1  0.768  0.773  0.732  1.0
  Al  Al5  1  0.268  0.727  0.268  1.0
  P  P6  1  0.386  0.009  0.748  1.0
  P  P7  1  0.886  0.491  0.252  1.0
  P  P8  1  0.614  0.991  0.252  1.0
  P  P9  1  0.114  0.509  0.748  1.0
  O  O10  1  0.509  0.818  0.783  1.0
  O  O11  1  0.009  0.682  0.217  1.0
  O  O12  1  0.491  0.182  0.217  1.0
  O  O13  1  0.991  0.318  0.783  1.0
  O  O14  1  0.496  0.196  0.734  1.0
  O  O15  1  0.996  0.304  0.266  1.0
  O  O16  1  0.504  0.804  0.266  1.0
  O  O17  1  0.004  0.696  0.734  1.0
  O  O18  1  0.244  0.419  0.947  1.0
  O  O19  1  0.744  0.081  0.053  1.0
  O  O20  1  0.756  0.581  0.053  1.0
  O  O21  1  0.256  0.919  0.947  1.0
  O  O22  1  0.235  0.578  0.555  1.0
  O  O23  1  0.735  0.922  0.445  1.0
  O  O24  1  0.765  0.422  0.445  1.0
  O  O25  1  0.265  0.078  0.555  1.0
  O  O26  1  0.328  0.493  0.229  1.0
  O  O27  1  0.828  0.007  0.771  1.0
  O  O28  1  0.672  0.507  0.771  1.0
  O  O29  1  0.172  0.993  0.229  1.0
[/CIF]
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The crystal structure described by MgAl2(PO5)2 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted MgO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Al(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_MgAl2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.500
_cell_length_b   7.090
_cell_length_c   7.157
_cell_angle_alpha   61.354
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.966
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  Al  Al2  1  0.232  0.227  0.268  1.0
  Al  Al3  1  0.732  0.273  0.732  1.0
  Al  Al4  1  0.768  0.773  0.732  1.0
  Al  Al5  1  0.268  0.727  0.268  1.0
  P  P6  1  0.386  0.009  0.748  1.0
  P  P7  1  0.886  0.491  0.252  1.0
  P  P8  1  0.614  0.991  0.252  1.0
  P  P9  1  0.114  0.509  0.748  1.0
  O  O10  1  0.509  0.818  0.783  1.0
  O  O11  1  0.009  0.682  0.217  1.0
  O  O12  1  0.491  0.182  0.217  1.0
  O  O13  1  0.991  0.318  0.783  1.0
  O  O14  1  0.496  0.196  0.734  1.0
  O  O15  1  0.996  0.304  0.266  1.0
  O  O16  1  0.504  0.804  0.266  1.0
  O  O17  1  0.004  0.696  0.734  1.0
  O  O18  1  0.244  0.419  0.947  1.0
  O  O19  1  0.744  0.081  0.053  1.0
  O  O20  1  0.756  0.581  0.053  1.0
  O  O21  1  0.256  0.919  0.947  1.0
  O  O22  1  0.235  0.578  0.555  1.0
  O  O23  1  0.735  0.922  0.445  1.0
  O  O24  1  0.765  0.422  0.445  1.0
  O  O25  1  0.265  0.078  0.555  1.0
  O  O26  1  0.328  0.493  0.229  1.0
  O  O27  1  0.828  0.007  0.771  1.0
  O  O28  1  0.672  0.507  0.771  1.0
  O  O29  1  0.172  0.993  0.229  1.0
[/CIF]
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