The material structure described by MgVCr2Fe3(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(16), one O(17), one O(18), one O(19), and one O(3) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one P(5)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. V(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom. In the second Cr site, Cr(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Fe(1)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 8-54°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-51°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-46°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-53°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Mg(1), one Cr(2), one Fe(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. is represented by the CIF card [CIF]
data_MgVCr2Fe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.758
_cell_length_c   8.732
_cell_angle_alpha   59.984
_cell_angle_beta   58.831
_cell_angle_gamma   60.906
_symmetry_Int_Tables_number   1
_cell_volume   458.691
_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  0.755  0.370  0.743  1.0
  V  V1  1  0.563  0.142  0.150  1.0
  Cr  Cr2  1  0.008  0.986  0.008  1.0
  Cr  Cr3  1  0.495  0.504  0.493  1.0
  Fe  Fe4  1  0.061  0.654  0.647  1.0
  Fe  Fe5  1  0.432  0.860  0.855  1.0
  Fe  Fe6  1  0.953  0.341  0.344  1.0
  P  P7  1  0.236  0.254  0.560  1.0
  P  P8  1  0.253  0.945  0.251  1.0
  P  P9  1  0.277  0.539  0.933  1.0
  P  P10  1  0.740  0.470  0.047  1.0
  P  P11  1  0.748  0.046  0.752  1.0
  P  P12  1  0.740  0.763  0.461  1.0
  O  O13  1  0.068  0.083  0.329  1.0
  O  O14  1  0.111  0.477  0.101  1.0
  O  O15  1  0.032  0.322  0.556  1.0
  O  O16  1  0.225  0.094  0.754  1.0
  O  O17  1  0.392  0.199  0.386  1.0
  O  O18  1  0.279  0.411  0.557  1.0
  O  O19  1  0.232  0.918  0.099  1.0
  O  O20  1  0.287  0.746  0.409  1.0
  O  O21  1  0.571  0.622  0.991  1.0
  O  O22  1  0.287  0.557  0.738  1.0
  O  O23  1  0.759  0.282  0.045  1.0
  O  O24  1  0.563  0.006  0.827  1.0
  O  O25  1  0.436  0.994  0.178  1.0
  O  O26  1  0.253  0.732  0.915  1.0
  O  O27  1  0.707  0.449  0.249  1.0
  O  O28  1  0.475  0.392  0.942  1.0
  O  O29  1  0.720  0.251  0.600  1.0
  O  O30  1  0.778  0.080  0.898  1.0
  O  O31  1  0.699  0.590  0.486  1.0
  O  O32  1  0.564  0.856  0.598  1.0
  O  O33  1  0.774  0.903  0.254  1.0
  O  O34  1  0.921  0.685  0.507  1.0
  O  O35  1  0.931  0.506  0.897  1.0
  O  O36  1  0.929  0.894  0.689  1.0
[/CIF]
.
The material structure described by MgVCr2Fe3(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(16), one O(17), one O(18), one O(19), and one O(3) atom to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one P(5)O4 tetrahedra, and  a faceface with one V(1)O6 octahedra. V(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom. In the second Cr site, Cr(2) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  a faceface with one Fe(1)O6 octahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 8-54°. In the second P site, P(2) is bonded to one O(1), one O(13), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-57°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-51°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 22-46°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 28-53°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-53°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Fe(3) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cr(2), one Fe(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cr(1), one Fe(2), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cr(2), one Fe(3), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Cr(2), one Fe(3), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one Cr(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Mg(1), one Cr(2), one Fe(3), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(1), one Cr(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(5) atom. is represented by the CIF card [CIF]
data_MgVCr2Fe3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   8.758
_cell_length_c   8.732
_cell_angle_alpha   59.984
_cell_angle_beta   58.831
_cell_angle_gamma   60.906
_symmetry_Int_Tables_number   1
_cell_volume   458.691
_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  0.755  0.370  0.743  1.0
  V  V1  1  0.563  0.142  0.150  1.0
  Cr  Cr2  1  0.008  0.986  0.008  1.0
  Cr  Cr3  1  0.495  0.504  0.493  1.0
  Fe  Fe4  1  0.061  0.654  0.647  1.0
  Fe  Fe5  1  0.432  0.860  0.855  1.0
  Fe  Fe6  1  0.953  0.341  0.344  1.0
  P  P7  1  0.236  0.254  0.560  1.0
  P  P8  1  0.253  0.945  0.251  1.0
  P  P9  1  0.277  0.539  0.933  1.0
  P  P10  1  0.740  0.470  0.047  1.0
  P  P11  1  0.748  0.046  0.752  1.0
  P  P12  1  0.740  0.763  0.461  1.0
  O  O13  1  0.068  0.083  0.329  1.0
  O  O14  1  0.111  0.477  0.101  1.0
  O  O15  1  0.032  0.322  0.556  1.0
  O  O16  1  0.225  0.094  0.754  1.0
  O  O17  1  0.392  0.199  0.386  1.0
  O  O18  1  0.279  0.411  0.557  1.0
  O  O19  1  0.232  0.918  0.099  1.0
  O  O20  1  0.287  0.746  0.409  1.0
  O  O21  1  0.571  0.622  0.991  1.0
  O  O22  1  0.287  0.557  0.738  1.0
  O  O23  1  0.759  0.282  0.045  1.0
  O  O24  1  0.563  0.006  0.827  1.0
  O  O25  1  0.436  0.994  0.178  1.0
  O  O26  1  0.253  0.732  0.915  1.0
  O  O27  1  0.707  0.449  0.249  1.0
  O  O28  1  0.475  0.392  0.942  1.0
  O  O29  1  0.720  0.251  0.600  1.0
  O  O30  1  0.778  0.080  0.898  1.0
  O  O31  1  0.699  0.590  0.486  1.0
  O  O32  1  0.564  0.856  0.598  1.0
  O  O33  1  0.774  0.903  0.254  1.0
  O  O34  1  0.921  0.685  0.507  1.0
  O  O35  1  0.931  0.506  0.897  1.0
  O  O36  1  0.929  0.894  0.689  1.0
[/CIF]
.