The material described by MgAl(PO4)O crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. Al(1) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgAlPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   7.088
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.372
_symmetry_Int_Tables_number   1
_cell_volume   392.915
_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  0.118  0.015  0.142  1.0
  Mg  Mg1  1  0.382  0.985  0.642  1.0
  Mg  Mg2  1  0.882  0.985  0.858  1.0
  Mg  Mg3  1  0.618  0.015  0.358  1.0
  Al  Al4  1  0.558  0.359  0.174  1.0
  Al  Al5  1  0.942  0.641  0.674  1.0
  Al  Al6  1  0.442  0.641  0.826  1.0
  Al  Al7  1  0.058  0.359  0.326  1.0
  P  P8  1  0.568  0.781  0.098  1.0
  P  P9  1  0.932  0.219  0.598  1.0
  P  P10  1  0.432  0.219  0.902  1.0
  P  P11  1  0.068  0.781  0.402  1.0
  O  O12  1  0.688  0.111  0.546  1.0
  O  O13  1  0.812  0.889  0.046  1.0
  O  O14  1  0.312  0.889  0.454  1.0
  O  O15  1  0.188  0.111  0.954  1.0
  O  O16  1  0.941  0.914  0.315  1.0
  O  O17  1  0.559  0.086  0.815  1.0
  O  O18  1  0.059  0.086  0.685  1.0
  O  O19  1  0.441  0.914  0.185  1.0
  O  O20  1  0.606  0.284  0.015  1.0
  O  O21  1  0.894  0.716  0.515  1.0
  O  O22  1  0.394  0.716  0.985  1.0
  O  O23  1  0.106  0.284  0.485  1.0
  O  O24  1  0.256  0.268  0.219  1.0
  O  O25  1  0.244  0.732  0.719  1.0
  O  O26  1  0.744  0.732  0.781  1.0
  O  O27  1  0.756  0.268  0.281  1.0
  O  O28  1  0.619  0.608  0.176  1.0
  O  O29  1  0.881  0.392  0.676  1.0
  O  O30  1  0.381  0.392  0.824  1.0
  O  O31  1  0.119  0.608  0.324  1.0
[/CIF]
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The material described by MgAl(PO4)O crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. Al(1) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Mg(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Al(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgAlPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.436
_cell_length_b   7.088
_cell_length_c   10.308
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.372
_symmetry_Int_Tables_number   1
_cell_volume   392.915
_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  0.118  0.015  0.142  1.0
  Mg  Mg1  1  0.382  0.985  0.642  1.0
  Mg  Mg2  1  0.882  0.985  0.858  1.0
  Mg  Mg3  1  0.618  0.015  0.358  1.0
  Al  Al4  1  0.558  0.359  0.174  1.0
  Al  Al5  1  0.942  0.641  0.674  1.0
  Al  Al6  1  0.442  0.641  0.826  1.0
  Al  Al7  1  0.058  0.359  0.326  1.0
  P  P8  1  0.568  0.781  0.098  1.0
  P  P9  1  0.932  0.219  0.598  1.0
  P  P10  1  0.432  0.219  0.902  1.0
  P  P11  1  0.068  0.781  0.402  1.0
  O  O12  1  0.688  0.111  0.546  1.0
  O  O13  1  0.812  0.889  0.046  1.0
  O  O14  1  0.312  0.889  0.454  1.0
  O  O15  1  0.188  0.111  0.954  1.0
  O  O16  1  0.941  0.914  0.315  1.0
  O  O17  1  0.559  0.086  0.815  1.0
  O  O18  1  0.059  0.086  0.685  1.0
  O  O19  1  0.441  0.914  0.185  1.0
  O  O20  1  0.606  0.284  0.015  1.0
  O  O21  1  0.894  0.716  0.515  1.0
  O  O22  1  0.394  0.716  0.985  1.0
  O  O23  1  0.106  0.284  0.485  1.0
  O  O24  1  0.256  0.268  0.219  1.0
  O  O25  1  0.244  0.732  0.719  1.0
  O  O26  1  0.744  0.732  0.781  1.0
  O  O27  1  0.756  0.268  0.281  1.0
  O  O28  1  0.619  0.608  0.176  1.0
  O  O29  1  0.881  0.392  0.676  1.0
  O  O30  1  0.381  0.392  0.824  1.0
  O  O31  1  0.119  0.608  0.324  1.0
[/CIF]
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