The compound described by V3Cr2Mn(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one Mn(1)O6 pentagonal pyramid. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. Mn(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-54°. In the second P site, P(2) is bonded to one O(5), one O(6), 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 V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(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 V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV3Cr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   8.545
_cell_angle_alpha   60.881
_cell_angle_beta   60.881
_cell_angle_gamma   60.881
_symmetry_Int_Tables_number   1
_cell_volume   449.928
_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
  Mn  Mn0  1  0.852  0.852  0.852  1.0
  V  V1  1  0.354  0.354  0.354  1.0
  V  V2  1  0.144  0.144  0.144  1.0
  V  V3  1  0.644  0.644  0.644  1.0
  Cr  Cr4  1  0.999  0.999  0.999  1.0
  Cr  Cr5  1  0.499  0.499  0.499  1.0
  P  P6  1  0.448  0.751  0.047  1.0
  P  P7  1  0.751  0.047  0.448  1.0
  P  P8  1  0.047  0.448  0.751  1.0
  P  P9  1  0.957  0.546  0.254  1.0
  P  P10  1  0.254  0.957  0.546  1.0
  P  P11  1  0.546  0.254  0.957  1.0
  O  O12  1  0.687  0.884  0.495  1.0
  O  O13  1  0.884  0.495  0.687  1.0
  O  O14  1  0.495  0.687  0.884  1.0
  O  O15  1  0.245  0.906  0.062  1.0
  O  O16  1  0.593  0.817  0.023  1.0
  O  O17  1  0.425  0.587  0.245  1.0
  O  O18  1  0.906  0.062  0.245  1.0
  O  O19  1  0.587  0.245  0.425  1.0
  O  O20  1  0.995  0.392  0.186  1.0
  O  O21  1  0.245  0.425  0.587  1.0
  O  O22  1  0.951  0.745  0.100  1.0
  O  O23  1  0.186  0.995  0.392  1.0
  O  O24  1  0.817  0.023  0.593  1.0
  O  O25  1  0.062  0.245  0.906  1.0
  O  O26  1  0.757  0.561  0.415  1.0
  O  O27  1  0.023  0.593  0.817  1.0
  O  O28  1  0.415  0.757  0.561  1.0
  O  O29  1  0.100  0.951  0.745  1.0
  O  O30  1  0.561  0.415  0.757  1.0
  O  O31  1  0.392  0.186  0.995  1.0
  O  O32  1  0.745  0.100  0.951  1.0
  O  O33  1  0.491  0.333  0.111  1.0
  O  O34  1  0.111  0.491  0.333  1.0
  O  O35  1  0.333  0.111  0.491  1.0
[/CIF]
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The compound described by V3Cr2Mn(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one Mn(1)O6 pentagonal pyramid. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. Mn(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 25-54°. In the second P site, P(2) is bonded to one O(5), one O(6), 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 V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, and  a cornercorner with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 27-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(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 V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Cr(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnV3Cr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.545
_cell_length_b   8.545
_cell_length_c   8.545
_cell_angle_alpha   60.881
_cell_angle_beta   60.881
_cell_angle_gamma   60.881
_symmetry_Int_Tables_number   1
_cell_volume   449.928
_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
  Mn  Mn0  1  0.852  0.852  0.852  1.0
  V  V1  1  0.354  0.354  0.354  1.0
  V  V2  1  0.144  0.144  0.144  1.0
  V  V3  1  0.644  0.644  0.644  1.0
  Cr  Cr4  1  0.999  0.999  0.999  1.0
  Cr  Cr5  1  0.499  0.499  0.499  1.0
  P  P6  1  0.448  0.751  0.047  1.0
  P  P7  1  0.751  0.047  0.448  1.0
  P  P8  1  0.047  0.448  0.751  1.0
  P  P9  1  0.957  0.546  0.254  1.0
  P  P10  1  0.254  0.957  0.546  1.0
  P  P11  1  0.546  0.254  0.957  1.0
  O  O12  1  0.687  0.884  0.495  1.0
  O  O13  1  0.884  0.495  0.687  1.0
  O  O14  1  0.495  0.687  0.884  1.0
  O  O15  1  0.245  0.906  0.062  1.0
  O  O16  1  0.593  0.817  0.023  1.0
  O  O17  1  0.425  0.587  0.245  1.0
  O  O18  1  0.906  0.062  0.245  1.0
  O  O19  1  0.587  0.245  0.425  1.0
  O  O20  1  0.995  0.392  0.186  1.0
  O  O21  1  0.245  0.425  0.587  1.0
  O  O22  1  0.951  0.745  0.100  1.0
  O  O23  1  0.186  0.995  0.392  1.0
  O  O24  1  0.817  0.023  0.593  1.0
  O  O25  1  0.062  0.245  0.906  1.0
  O  O26  1  0.757  0.561  0.415  1.0
  O  O27  1  0.023  0.593  0.817  1.0
  O  O28  1  0.415  0.757  0.561  1.0
  O  O29  1  0.100  0.951  0.745  1.0
  O  O30  1  0.561  0.415  0.757  1.0
  O  O31  1  0.392  0.186  0.995  1.0
  O  O32  1  0.745  0.100  0.951  1.0
  O  O33  1  0.491  0.333  0.111  1.0
  O  O34  1  0.111  0.491  0.333  1.0
  O  O35  1  0.333  0.111  0.491  1.0
[/CIF]
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