The structure described by Mn2PO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   7.601
_cell_length_c   5.603
_cell_angle_alpha   64.476
_cell_angle_beta   93.701
_cell_angle_gamma   115.552
_symmetry_Int_Tables_number   1
_cell_volume   192.059
_cell_formula_units_Z   2
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  0.500  1.000  0.500  1.0
  Mn  Mn1  1  1.000  1.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.499  0.500  0.500  1.0
  P  P4  1  0.119  0.750  0.118  1.0
  P  P5  1  0.881  0.250  0.882  1.0
  O  O6  1  0.350  0.250  0.350  1.0
  O  O7  1  0.650  0.750  0.650  1.0
  O  O8  1  0.816  0.100  0.192  1.0
  O  O9  1  0.286  0.624  0.180  1.0
  O  O10  1  0.808  0.601  0.183  1.0
  O  O11  1  0.180  0.877  0.285  1.0
  O  O12  1  0.820  0.123  0.715  1.0
  O  O13  1  0.714  0.376  0.820  1.0
  O  O14  1  0.192  0.400  0.817  1.0
  O  O15  1  0.184  0.900  0.808  1.0
[/CIF]
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The structure described by Mn2PO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Mn2PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.602
_cell_length_b   7.601
_cell_length_c   5.603
_cell_angle_alpha   64.476
_cell_angle_beta   93.701
_cell_angle_gamma   115.552
_symmetry_Int_Tables_number   1
_cell_volume   192.059
_cell_formula_units_Z   2
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  0.500  1.000  0.500  1.0
  Mn  Mn1  1  1.000  1.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.499  0.500  0.500  1.0
  P  P4  1  0.119  0.750  0.118  1.0
  P  P5  1  0.881  0.250  0.882  1.0
  O  O6  1  0.350  0.250  0.350  1.0
  O  O7  1  0.650  0.750  0.650  1.0
  O  O8  1  0.816  0.100  0.192  1.0
  O  O9  1  0.286  0.624  0.180  1.0
  O  O10  1  0.808  0.601  0.183  1.0
  O  O11  1  0.180  0.877  0.285  1.0
  O  O12  1  0.820  0.123  0.715  1.0
  O  O13  1  0.714  0.376  0.820  1.0
  O  O14  1  0.192  0.400  0.817  1.0
  O  O15  1  0.184  0.900  0.808  1.0
[/CIF]
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