The material structure described by Ca2Mg(AsO5)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ca(1) and one Mg(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Mg(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OCa2MgAs tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Ca2Mg(AsO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   6.254
_cell_length_c   12.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.664
_symmetry_Int_Tables_number   1
_cell_volume   400.677
_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
  Ca  Ca0  1  0.263  0.562  0.125  1.0
  Ca  Ca1  1  0.737  0.438  0.875  1.0
  Ca  Ca2  1  0.237  0.438  0.625  1.0
  Ca  Ca3  1  0.763  0.562  0.375  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  As  As6  1  0.069  0.215  0.380  1.0
  As  As7  1  0.931  0.785  0.620  1.0
  As  As8  1  0.431  0.785  0.880  1.0
  As  As9  1  0.569  0.215  0.120  1.0
  O  O10  1  0.468  0.943  0.175  1.0
  O  O11  1  0.532  0.057  0.825  1.0
  O  O12  1  0.032  0.057  0.675  1.0
  O  O13  1  0.968  0.943  0.325  1.0
  O  O14  1  0.071  0.419  0.288  1.0
  O  O15  1  0.929  0.581  0.712  1.0
  O  O16  1  0.429  0.581  0.788  1.0
  O  O17  1  0.571  0.419  0.212  1.0
  O  O18  1  0.461  0.158  0.651  1.0
  O  O19  1  0.539  0.842  0.349  1.0
  O  O20  1  0.039  0.842  0.151  1.0
  O  O21  1  0.961  0.158  0.849  1.0
  O  O22  1  0.357  0.266  0.448  1.0
  O  O23  1  0.643  0.734  0.552  1.0
  O  O24  1  0.143  0.734  0.948  1.0
  O  O25  1  0.857  0.266  0.052  1.0
  O  O26  1  0.358  0.244  0.022  1.0
  O  O27  1  0.642  0.756  0.978  1.0
  O  O28  1  0.142  0.756  0.522  1.0
  O  O29  1  0.858  0.244  0.478  1.0
[/CIF]
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The material structure described by Ca2Mg(AsO5)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ca(1) and one Mg(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Mg(1), and one As(1) atom to form a mixture of distorted corner and edge-sharing OCa2MgAs tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Mg(1), and one As(1) atom. is represented by the CIF card [CIF]
data_Ca2Mg(AsO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   6.254
_cell_length_c   12.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.664
_symmetry_Int_Tables_number   1
_cell_volume   400.677
_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
  Ca  Ca0  1  0.263  0.562  0.125  1.0
  Ca  Ca1  1  0.737  0.438  0.875  1.0
  Ca  Ca2  1  0.237  0.438  0.625  1.0
  Ca  Ca3  1  0.763  0.562  0.375  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  As  As6  1  0.069  0.215  0.380  1.0
  As  As7  1  0.931  0.785  0.620  1.0
  As  As8  1  0.431  0.785  0.880  1.0
  As  As9  1  0.569  0.215  0.120  1.0
  O  O10  1  0.468  0.943  0.175  1.0
  O  O11  1  0.532  0.057  0.825  1.0
  O  O12  1  0.032  0.057  0.675  1.0
  O  O13  1  0.968  0.943  0.325  1.0
  O  O14  1  0.071  0.419  0.288  1.0
  O  O15  1  0.929  0.581  0.712  1.0
  O  O16  1  0.429  0.581  0.788  1.0
  O  O17  1  0.571  0.419  0.212  1.0
  O  O18  1  0.461  0.158  0.651  1.0
  O  O19  1  0.539  0.842  0.349  1.0
  O  O20  1  0.039  0.842  0.151  1.0
  O  O21  1  0.961  0.158  0.849  1.0
  O  O22  1  0.357  0.266  0.448  1.0
  O  O23  1  0.643  0.734  0.552  1.0
  O  O24  1  0.143  0.734  0.948  1.0
  O  O25  1  0.857  0.266  0.052  1.0
  O  O26  1  0.358  0.244  0.022  1.0
  O  O27  1  0.642  0.756  0.978  1.0
  O  O28  1  0.142  0.756  0.522  1.0
  O  O29  1  0.858  0.244  0.478  1.0
[/CIF]
.