The crystal structure described by MgMnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(7), and one O(8) atom. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.359
_cell_length_c   6.766
_cell_angle_alpha   104.814
_cell_angle_beta   104.794
_cell_angle_gamma   102.246
_symmetry_Int_Tables_number   1
_cell_volume   173.395
_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
  Mg  Mg0  1  0.885  0.752  0.289  1.0
  Mg  Mg1  1  0.252  0.382  0.787  1.0
  Mn  Mn2  1  0.515  0.992  0.494  1.0
  Mn  Mn3  1  0.492  0.013  0.994  1.0
  O  O4  1  0.276  0.306  0.069  1.0
  O  O5  1  0.156  0.135  0.353  1.0
  O  O6  1  0.635  0.655  0.852  1.0
  O  O7  1  0.811  0.781  0.572  1.0
  O  O8  1  0.823  0.331  0.622  1.0
  O  O9  1  0.133  0.726  0.896  1.0
  O  O10  1  0.228  0.632  0.396  1.0
  O  O11  1  0.830  0.324  0.125  1.0
  O  O12  1  0.410  0.083  0.736  1.0
  O  O13  1  0.584  0.907  0.235  1.0
  P  P14  1  0.128  0.341  0.234  1.0
  P  P15  1  0.843  0.629  0.734  1.0
[/CIF]
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The crystal structure described by MgMnPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(7), and one O(8) atom. In the second Mg site, Mg(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mg(2), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.358
_cell_length_b   5.359
_cell_length_c   6.766
_cell_angle_alpha   104.814
_cell_angle_beta   104.794
_cell_angle_gamma   102.246
_symmetry_Int_Tables_number   1
_cell_volume   173.395
_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
  Mg  Mg0  1  0.885  0.752  0.289  1.0
  Mg  Mg1  1  0.252  0.382  0.787  1.0
  Mn  Mn2  1  0.515  0.992  0.494  1.0
  Mn  Mn3  1  0.492  0.013  0.994  1.0
  O  O4  1  0.276  0.306  0.069  1.0
  O  O5  1  0.156  0.135  0.353  1.0
  O  O6  1  0.635  0.655  0.852  1.0
  O  O7  1  0.811  0.781  0.572  1.0
  O  O8  1  0.823  0.331  0.622  1.0
  O  O9  1  0.133  0.726  0.896  1.0
  O  O10  1  0.228  0.632  0.396  1.0
  O  O11  1  0.830  0.324  0.125  1.0
  O  O12  1  0.410  0.083  0.736  1.0
  O  O13  1  0.584  0.907  0.235  1.0
  P  P14  1  0.128  0.341  0.234  1.0
  P  P15  1  0.843  0.629  0.734  1.0
[/CIF]
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