The material described by BaMn3(PO4)3 crystallizes in the orthorhombic Imma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.467
_cell_length_b   9.467
_cell_length_c   9.467
_cell_angle_alpha   137.836
_cell_angle_beta   112.468
_cell_angle_gamma   82.912
_symmetry_Int_Tables_number   1
_cell_volume   508.561
_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
  Ba  Ba0  1  0.750  0.866  0.116  1.0
  Ba  Ba1  1  0.250  0.134  0.884  1.0
  Mn  Mn2  1  0.618  0.618  0.500  1.0
  Mn  Mn3  1  0.882  0.382  0.000  1.0
  Mn  Mn4  1  0.118  0.618  0.000  1.0
  Mn  Mn5  1  0.382  0.382  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.750  0.353  0.603  1.0
  P  P9  1  0.250  0.647  0.397  1.0
  P  P10  1  0.821  0.821  0.500  1.0
  P  P11  1  0.679  0.179  0.000  1.0
  P  P12  1  0.321  0.821  0.000  1.0
  P  P13  1  0.179  0.179  0.500  1.0
  O  O14  1  0.660  0.137  0.477  1.0
  O  O15  1  0.340  0.863  0.523  1.0
  O  O16  1  0.160  0.683  0.523  1.0
  O  O17  1  0.840  0.317  0.477  1.0
  O  O18  1  0.632  0.494  0.626  1.0
  O  O19  1  0.132  0.506  0.138  1.0
  O  O20  1  0.368  0.506  0.374  1.0
  O  O21  1  0.868  0.494  0.862  1.0
  O  O22  1  0.920  0.058  0.717  1.0
  O  O23  1  0.659  0.942  0.862  1.0
  O  O24  1  0.420  0.703  0.862  1.0
  O  O25  1  0.159  0.297  0.717  1.0
  O  O26  1  0.080  0.942  0.283  1.0
  O  O27  1  0.341  0.058  0.138  1.0
  O  O28  1  0.580  0.297  0.138  1.0
  O  O29  1  0.841  0.703  0.283  1.0
  O  O30  1  0.637  0.798  0.438  1.0
  O  O31  1  0.640  0.202  0.839  1.0
  O  O32  1  0.137  0.699  0.839  1.0
  O  O33  1  0.140  0.301  0.438  1.0
  O  O34  1  0.363  0.202  0.562  1.0
  O  O35  1  0.360  0.798  0.161  1.0
  O  O36  1  0.863  0.301  0.161  1.0
  O  O37  1  0.860  0.699  0.562  1.0
[/CIF]
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The material described by BaMn3(PO4)3 crystallizes in the orthorhombic Imma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with four equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Mn(1), and one P(1) atom. In the second O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one P(2) atom. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMn3(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.467
_cell_length_b   9.467
_cell_length_c   9.467
_cell_angle_alpha   137.836
_cell_angle_beta   112.468
_cell_angle_gamma   82.912
_symmetry_Int_Tables_number   1
_cell_volume   508.561
_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
  Ba  Ba0  1  0.750  0.866  0.116  1.0
  Ba  Ba1  1  0.250  0.134  0.884  1.0
  Mn  Mn2  1  0.618  0.618  0.500  1.0
  Mn  Mn3  1  0.882  0.382  0.000  1.0
  Mn  Mn4  1  0.118  0.618  0.000  1.0
  Mn  Mn5  1  0.382  0.382  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.750  0.353  0.603  1.0
  P  P9  1  0.250  0.647  0.397  1.0
  P  P10  1  0.821  0.821  0.500  1.0
  P  P11  1  0.679  0.179  0.000  1.0
  P  P12  1  0.321  0.821  0.000  1.0
  P  P13  1  0.179  0.179  0.500  1.0
  O  O14  1  0.660  0.137  0.477  1.0
  O  O15  1  0.340  0.863  0.523  1.0
  O  O16  1  0.160  0.683  0.523  1.0
  O  O17  1  0.840  0.317  0.477  1.0
  O  O18  1  0.632  0.494  0.626  1.0
  O  O19  1  0.132  0.506  0.138  1.0
  O  O20  1  0.368  0.506  0.374  1.0
  O  O21  1  0.868  0.494  0.862  1.0
  O  O22  1  0.920  0.058  0.717  1.0
  O  O23  1  0.659  0.942  0.862  1.0
  O  O24  1  0.420  0.703  0.862  1.0
  O  O25  1  0.159  0.297  0.717  1.0
  O  O26  1  0.080  0.942  0.283  1.0
  O  O27  1  0.341  0.058  0.138  1.0
  O  O28  1  0.580  0.297  0.138  1.0
  O  O29  1  0.841  0.703  0.283  1.0
  O  O30  1  0.637  0.798  0.438  1.0
  O  O31  1  0.640  0.202  0.839  1.0
  O  O32  1  0.137  0.699  0.839  1.0
  O  O33  1  0.140  0.301  0.438  1.0
  O  O34  1  0.363  0.202  0.562  1.0
  O  O35  1  0.360  0.798  0.161  1.0
  O  O36  1  0.863  0.301  0.161  1.0
  O  O37  1  0.860  0.699  0.562  1.0
[/CIF]
.