The material described by MgCr2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(6) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(5), one O(7), one O(8), and one O(9) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mg(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mg(1), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Mg(1) and one Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one P(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 P(2) atom. is represented by the CIF file [CIF]
data_MgCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.112
_cell_length_c   5.564
_cell_angle_alpha   91.863
_cell_angle_beta   89.318
_cell_angle_gamma   89.836
_symmetry_Int_Tables_number   1
_cell_volume   207.315
_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  0.845  0.351  0.985  1.0
  Cr  Cr1  1  0.251  0.252  0.727  1.0
  Cr  Cr2  1  0.750  0.756  0.269  1.0
  P  P3  1  0.249  0.753  0.498  1.0
  P  P4  1  0.745  0.249  0.497  1.0
  O  O5  1  0.045  0.821  0.355  1.0
  O  O6  1  0.193  0.547  0.639  1.0
  O  O7  1  0.178  0.279  0.021  1.0
  O  O8  1  0.313  0.950  0.667  1.0
  O  O9  1  0.447  0.701  0.331  1.0
  O  O10  1  0.568  0.309  0.692  1.0
  O  O11  1  0.687  0.073  0.304  1.0
  O  O12  1  0.778  0.682  0.974  1.0
  O  O13  1  0.807  0.443  0.339  1.0
  O  O14  1  0.935  0.189  0.666  1.0
[/CIF]
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The material described by MgCr2(PO5)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(3), one O(4), and one O(6) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(5), one O(7), one O(8), and one O(9) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(10), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O5 trigonal bipyramids and corners with two equivalent Cr(2)O5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Mg(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mg(1), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Mg(1) and one Cr(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Cr(2), and one P(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 P(2) atom. is represented by the CIF file [CIF]
data_MgCr2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.100
_cell_length_b   6.112
_cell_length_c   5.564
_cell_angle_alpha   91.863
_cell_angle_beta   89.318
_cell_angle_gamma   89.836
_symmetry_Int_Tables_number   1
_cell_volume   207.315
_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  0.845  0.351  0.985  1.0
  Cr  Cr1  1  0.251  0.252  0.727  1.0
  Cr  Cr2  1  0.750  0.756  0.269  1.0
  P  P3  1  0.249  0.753  0.498  1.0
  P  P4  1  0.745  0.249  0.497  1.0
  O  O5  1  0.045  0.821  0.355  1.0
  O  O6  1  0.193  0.547  0.639  1.0
  O  O7  1  0.178  0.279  0.021  1.0
  O  O8  1  0.313  0.950  0.667  1.0
  O  O9  1  0.447  0.701  0.331  1.0
  O  O10  1  0.568  0.309  0.692  1.0
  O  O11  1  0.687  0.073  0.304  1.0
  O  O12  1  0.778  0.682  0.974  1.0
  O  O13  1  0.807  0.443  0.339  1.0
  O  O14  1  0.935  0.189  0.666  1.0
[/CIF]
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