The compound described by CaMn2(PO5)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CaMn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   8.882
_cell_length_c   6.870
_cell_angle_alpha   77.229
_cell_angle_beta   60.470
_cell_angle_gamma   42.301
_symmetry_Int_Tables_number   1
_cell_volume   344.862
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.625  0.625  0.125  1.0
  Mn  Mn3  1  0.625  0.125  0.625  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.975  0.327  0.007  1.0
  O  O11  1  0.417  0.417  0.583  1.0
  O  O12  1  0.896  0.074  0.389  1.0
  O  O13  1  0.243  0.559  0.275  1.0
  O  O14  1  0.327  0.975  0.691  1.0
  O  O15  1  0.354  0.176  0.861  1.0
  O  O16  1  0.833  0.833  0.667  1.0
  O  O17  1  0.583  0.583  0.417  1.0
  O  O18  1  0.667  0.667  0.833  1.0
  O  O19  1  0.275  0.923  0.243  1.0
  O  O20  1  0.691  0.007  0.327  1.0
  O  O21  1  0.559  0.243  0.923  1.0
  O  O22  1  0.007  0.691  0.975  1.0
  O  O23  1  0.074  0.896  0.641  1.0
  O  O24  1  0.609  0.861  0.176  1.0
  O  O25  1  0.389  0.641  0.896  1.0
  O  O26  1  0.861  0.609  0.354  1.0
  O  O27  1  0.641  0.389  0.074  1.0
  O  O28  1  0.923  0.275  0.559  1.0
  O  O29  1  0.176  0.354  0.609  1.0
[/CIF]
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The compound described by CaMn2(PO5)2 crystallizes in the orthorhombic Fddd space group. Ca(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CaMn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   8.882
_cell_length_c   6.870
_cell_angle_alpha   77.229
_cell_angle_beta   60.470
_cell_angle_gamma   42.301
_symmetry_Int_Tables_number   1
_cell_volume   344.862
_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
  Ca  Ca0  1  0.250  0.250  0.250  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.625  0.625  0.125  1.0
  Mn  Mn3  1  0.625  0.125  0.625  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  P  P6  1  0.792  0.792  0.208  1.0
  P  P7  1  0.458  0.458  0.042  1.0
  P  P8  1  0.208  0.208  0.792  1.0
  P  P9  1  0.042  0.042  0.458  1.0
  O  O10  1  0.975  0.327  0.007  1.0
  O  O11  1  0.417  0.417  0.583  1.0
  O  O12  1  0.896  0.074  0.389  1.0
  O  O13  1  0.243  0.559  0.275  1.0
  O  O14  1  0.327  0.975  0.691  1.0
  O  O15  1  0.354  0.176  0.861  1.0
  O  O16  1  0.833  0.833  0.667  1.0
  O  O17  1  0.583  0.583  0.417  1.0
  O  O18  1  0.667  0.667  0.833  1.0
  O  O19  1  0.275  0.923  0.243  1.0
  O  O20  1  0.691  0.007  0.327  1.0
  O  O21  1  0.559  0.243  0.923  1.0
  O  O22  1  0.007  0.691  0.975  1.0
  O  O23  1  0.074  0.896  0.641  1.0
  O  O24  1  0.609  0.861  0.176  1.0
  O  O25  1  0.389  0.641  0.896  1.0
  O  O26  1  0.861  0.609  0.354  1.0
  O  O27  1  0.641  0.389  0.074  1.0
  O  O28  1  0.923  0.275  0.559  1.0
  O  O29  1  0.176  0.354  0.609  1.0
[/CIF]
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