The structure described by MgCr2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-50°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_MgCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   7.062
_cell_length_c   7.650
_cell_angle_alpha   89.022
_cell_angle_beta   41.963
_cell_angle_gamma   70.566
_symmetry_Int_Tables_number   1
_cell_volume   170.316
_cell_formula_units_Z   1
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  0.006  0.483  0.993  1.0
  Cr  Cr1  1  0.505  0.486  0.994  1.0
  Cr  Cr2  1  0.507  0.986  0.990  1.0
  P  P3  1  0.498  0.215  0.355  1.0
  P  P4  1  0.515  0.752  0.630  1.0
  O  O5  1  0.349  0.096  0.305  1.0
  O  O6  1  0.539  0.397  0.228  1.0
  O  O7  1  0.670  0.868  0.676  1.0
  O  O8  1  0.467  0.572  0.761  1.0
  O  O9  1  0.872  0.641  0.306  1.0
  O  O10  1  0.107  0.897  0.743  1.0
  O  O11  1  0.142  0.323  0.679  1.0
  O  O12  1  0.909  0.070  0.238  1.0
  O  O13  1  0.579  0.710  0.037  1.0
  O  O14  1  0.435  0.256  0.946  1.0
[/CIF]
.
The structure described by MgCr2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Cr site, Cr(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-50°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(1), and one Cr(2) atom. is represented by the CIF file [CIF]
data_MgCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   7.062
_cell_length_c   7.650
_cell_angle_alpha   89.022
_cell_angle_beta   41.963
_cell_angle_gamma   70.566
_symmetry_Int_Tables_number   1
_cell_volume   170.316
_cell_formula_units_Z   1
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  0.006  0.483  0.993  1.0
  Cr  Cr1  1  0.505  0.486  0.994  1.0
  Cr  Cr2  1  0.507  0.986  0.990  1.0
  P  P3  1  0.498  0.215  0.355  1.0
  P  P4  1  0.515  0.752  0.630  1.0
  O  O5  1  0.349  0.096  0.305  1.0
  O  O6  1  0.539  0.397  0.228  1.0
  O  O7  1  0.670  0.868  0.676  1.0
  O  O8  1  0.467  0.572  0.761  1.0
  O  O9  1  0.872  0.641  0.306  1.0
  O  O10  1  0.107  0.897  0.743  1.0
  O  O11  1  0.142  0.323  0.679  1.0
  O  O12  1  0.909  0.070  0.238  1.0
  O  O13  1  0.579  0.710  0.037  1.0
  O  O14  1  0.435  0.256  0.946  1.0
[/CIF]
.