The material structure described by MgCr2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent Cr(1), 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), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Cr(1), one Cr(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgCr2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   16.488
_cell_angle_alpha   61.108
_cell_angle_beta   61.108
_cell_angle_gamma   31.811
_symmetry_Int_Tables_number   1
_cell_volume   639.586
_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  0.146  0.574  0.625  1.0
  Mg  Mg1  1  0.426  0.854  0.875  1.0
  Mg  Mg2  1  0.574  0.146  0.125  1.0
  Mg  Mg3  1  0.854  0.426  0.375  1.0
  Cr  Cr4  1  0.365  0.837  0.531  1.0
  Cr  Cr5  1  0.163  0.635  0.969  1.0
  Cr  Cr6  1  0.635  0.163  0.469  1.0
  Cr  Cr7  1  0.000  0.500  0.500  1.0
  Cr  Cr8  1  0.837  0.365  0.031  1.0
  Cr  Cr9  1  0.683  0.317  0.250  1.0
  Cr  Cr10  1  0.317  0.683  0.750  1.0
  Cr  Cr11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.490  0.936  0.642  1.0
  P  P13  1  0.808  0.225  0.893  1.0
  P  P14  1  0.510  0.064  0.358  1.0
  P  P15  1  0.225  0.808  0.393  1.0
  P  P16  1  0.936  0.490  0.142  1.0
  P  P17  1  0.064  0.510  0.858  1.0
  P  P18  1  0.192  0.775  0.107  1.0
  P  P19  1  0.775  0.192  0.607  1.0
  O  O20  1  0.188  0.297  0.394  1.0
  O  O21  1  0.601  0.222  0.584  1.0
  O  O22  1  0.297  0.188  0.894  1.0
  O  O23  1  0.672  0.174  0.979  1.0
  O  O24  1  0.650  0.801  0.437  1.0
  O  O25  1  0.680  0.386  0.806  1.0
  O  O26  1  0.826  0.328  0.521  1.0
  O  O27  1  0.924  0.127  0.380  1.0
  O  O28  1  0.328  0.826  0.021  1.0
  O  O29  1  0.778  0.399  0.916  1.0
  O  O30  1  0.607  0.143  0.358  1.0
  O  O31  1  0.988  0.417  0.236  1.0
  O  O32  1  0.399  0.778  0.416  1.0
  O  O33  1  0.127  0.924  0.880  1.0
  O  O34  1  0.812  0.703  0.606  1.0
  O  O35  1  0.393  0.857  0.642  1.0
  O  O36  1  0.417  0.988  0.736  1.0
  O  O37  1  0.174  0.672  0.479  1.0
  O  O38  1  0.143  0.607  0.858  1.0
  O  O39  1  0.012  0.583  0.764  1.0
  O  O40  1  0.873  0.076  0.120  1.0
  O  O41  1  0.801  0.650  0.937  1.0
  O  O42  1  0.076  0.873  0.620  1.0
  O  O43  1  0.386  0.680  0.306  1.0
  O  O44  1  0.222  0.601  0.084  1.0
  O  O45  1  0.703  0.812  0.106  1.0
  O  O46  1  0.583  0.012  0.264  1.0
  O  O47  1  0.199  0.350  0.063  1.0
  O  O48  1  0.350  0.199  0.563  1.0
  O  O49  1  0.614  0.320  0.694  1.0
  O  O50  1  0.320  0.614  0.194  1.0
  O  O51  1  0.857  0.393  0.142  1.0
[/CIF]
.
The material structure described by MgCr2(PO4)2 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent Cr(1), 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), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Cr(1), one Cr(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. is represented by the CIF card [CIF]
data_MgCr2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   16.488
_cell_angle_alpha   61.108
_cell_angle_beta   61.108
_cell_angle_gamma   31.811
_symmetry_Int_Tables_number   1
_cell_volume   639.586
_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  0.146  0.574  0.625  1.0
  Mg  Mg1  1  0.426  0.854  0.875  1.0
  Mg  Mg2  1  0.574  0.146  0.125  1.0
  Mg  Mg3  1  0.854  0.426  0.375  1.0
  Cr  Cr4  1  0.365  0.837  0.531  1.0
  Cr  Cr5  1  0.163  0.635  0.969  1.0
  Cr  Cr6  1  0.635  0.163  0.469  1.0
  Cr  Cr7  1  0.000  0.500  0.500  1.0
  Cr  Cr8  1  0.837  0.365  0.031  1.0
  Cr  Cr9  1  0.683  0.317  0.250  1.0
  Cr  Cr10  1  0.317  0.683  0.750  1.0
  Cr  Cr11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.490  0.936  0.642  1.0
  P  P13  1  0.808  0.225  0.893  1.0
  P  P14  1  0.510  0.064  0.358  1.0
  P  P15  1  0.225  0.808  0.393  1.0
  P  P16  1  0.936  0.490  0.142  1.0
  P  P17  1  0.064  0.510  0.858  1.0
  P  P18  1  0.192  0.775  0.107  1.0
  P  P19  1  0.775  0.192  0.607  1.0
  O  O20  1  0.188  0.297  0.394  1.0
  O  O21  1  0.601  0.222  0.584  1.0
  O  O22  1  0.297  0.188  0.894  1.0
  O  O23  1  0.672  0.174  0.979  1.0
  O  O24  1  0.650  0.801  0.437  1.0
  O  O25  1  0.680  0.386  0.806  1.0
  O  O26  1  0.826  0.328  0.521  1.0
  O  O27  1  0.924  0.127  0.380  1.0
  O  O28  1  0.328  0.826  0.021  1.0
  O  O29  1  0.778  0.399  0.916  1.0
  O  O30  1  0.607  0.143  0.358  1.0
  O  O31  1  0.988  0.417  0.236  1.0
  O  O32  1  0.399  0.778  0.416  1.0
  O  O33  1  0.127  0.924  0.880  1.0
  O  O34  1  0.812  0.703  0.606  1.0
  O  O35  1  0.393  0.857  0.642  1.0
  O  O36  1  0.417  0.988  0.736  1.0
  O  O37  1  0.174  0.672  0.479  1.0
  O  O38  1  0.143  0.607  0.858  1.0
  O  O39  1  0.012  0.583  0.764  1.0
  O  O40  1  0.873  0.076  0.120  1.0
  O  O41  1  0.801  0.650  0.937  1.0
  O  O42  1  0.076  0.873  0.620  1.0
  O  O43  1  0.386  0.680  0.306  1.0
  O  O44  1  0.222  0.601  0.084  1.0
  O  O45  1  0.703  0.812  0.106  1.0
  O  O46  1  0.583  0.012  0.264  1.0
  O  O47  1  0.199  0.350  0.063  1.0
  O  O48  1  0.350  0.199  0.563  1.0
  O  O49  1  0.614  0.320  0.694  1.0
  O  O50  1  0.320  0.614  0.194  1.0
  O  O51  1  0.857  0.393  0.142  1.0
[/CIF]
.