The material described by MnPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(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. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   6.274
_cell_length_c   5.396
_cell_angle_alpha   77.088
_cell_angle_beta   61.301
_cell_angle_gamma   102.916
_symmetry_Int_Tables_number   1
_cell_volume   143.922
_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  0.456  0.250  0.456  1.0
  Mn  Mn1  1  0.197  0.749  0.198  1.0
  P  P2  1  0.115  0.250  0.115  1.0
  P  P3  1  0.866  0.750  0.866  1.0
  O  O4  1  0.777  0.571  0.179  1.0
  O  O5  1  0.766  0.125  0.278  1.0
  O  O6  1  0.200  0.432  0.246  1.0
  O  O7  1  0.180  0.930  0.774  1.0
  O  O8  1  0.635  0.868  0.914  1.0
  O  O9  1  0.277  0.376  0.766  1.0
  O  O10  1  0.912  0.631  0.636  1.0
  O  O11  1  0.246  0.068  0.199  1.0
[/CIF]
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The material described by MnPO4 crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(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. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.392
_cell_length_b   6.274
_cell_length_c   5.396
_cell_angle_alpha   77.088
_cell_angle_beta   61.301
_cell_angle_gamma   102.916
_symmetry_Int_Tables_number   1
_cell_volume   143.922
_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  0.456  0.250  0.456  1.0
  Mn  Mn1  1  0.197  0.749  0.198  1.0
  P  P2  1  0.115  0.250  0.115  1.0
  P  P3  1  0.866  0.750  0.866  1.0
  O  O4  1  0.777  0.571  0.179  1.0
  O  O5  1  0.766  0.125  0.278  1.0
  O  O6  1  0.200  0.432  0.246  1.0
  O  O7  1  0.180  0.930  0.774  1.0
  O  O8  1  0.635  0.868  0.914  1.0
  O  O9  1  0.277  0.376  0.766  1.0
  O  O10  1  0.912  0.631  0.636  1.0
  O  O11  1  0.246  0.068  0.199  1.0
[/CIF]
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