The compound described by CaMn(PO3)4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-56°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to one Mn(1) and one P(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CaMn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.555
_cell_length_b   7.555
_cell_length_c   10.123
_cell_angle_alpha   66.610
_cell_angle_beta   66.610
_cell_angle_gamma   70.720
_symmetry_Int_Tables_number   1
_cell_volume   476.435
_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  0.954  0.046  0.750  1.0
  Ca  Ca1  1  0.046  0.954  0.250  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.312  0.308  0.696  1.0
  P  P5  1  0.692  0.688  0.804  1.0
  P  P6  1  0.688  0.692  0.304  1.0
  P  P7  1  0.308  0.312  0.196  1.0
  P  P8  1  0.716  0.271  0.474  1.0
  P  P9  1  0.729  0.284  0.026  1.0
  P  P10  1  0.284  0.729  0.526  1.0
  P  P11  1  0.271  0.716  0.974  1.0
  O  O12  1  0.298  0.535  0.668  1.0
  O  O13  1  0.465  0.702  0.832  1.0
  O  O14  1  0.702  0.465  0.332  1.0
  O  O15  1  0.535  0.298  0.168  1.0
  O  O16  1  0.490  0.260  0.555  1.0
  O  O17  1  0.740  0.510  0.945  1.0
  O  O18  1  0.510  0.740  0.445  1.0
  O  O19  1  0.260  0.490  0.055  1.0
  O  O20  1  0.355  0.192  0.840  1.0
  O  O21  1  0.808  0.645  0.660  1.0
  O  O22  1  0.645  0.808  0.160  1.0
  O  O23  1  0.192  0.355  0.340  1.0
  O  O24  1  0.132  0.290  0.676  1.0
  O  O25  1  0.710  0.868  0.824  1.0
  O  O26  1  0.868  0.710  0.324  1.0
  O  O27  1  0.290  0.132  0.176  1.0
  O  O28  1  0.794  0.307  0.574  1.0
  O  O29  1  0.693  0.206  0.926  1.0
  O  O30  1  0.206  0.693  0.426  1.0
  O  O31  1  0.307  0.794  0.074  1.0
  O  O32  1  0.817  0.100  0.419  1.0
  O  O33  1  0.900  0.183  0.081  1.0
  O  O34  1  0.183  0.900  0.581  1.0
  O  O35  1  0.100  0.817  0.919  1.0
[/CIF]
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The compound described by CaMn(PO3)4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form CaO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ca(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-56°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted linear geometry to one Mn(1) and one P(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CaMn(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.555
_cell_length_b   7.555
_cell_length_c   10.123
_cell_angle_alpha   66.610
_cell_angle_beta   66.610
_cell_angle_gamma   70.720
_symmetry_Int_Tables_number   1
_cell_volume   476.435
_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  0.954  0.046  0.750  1.0
  Ca  Ca1  1  0.046  0.954  0.250  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.312  0.308  0.696  1.0
  P  P5  1  0.692  0.688  0.804  1.0
  P  P6  1  0.688  0.692  0.304  1.0
  P  P7  1  0.308  0.312  0.196  1.0
  P  P8  1  0.716  0.271  0.474  1.0
  P  P9  1  0.729  0.284  0.026  1.0
  P  P10  1  0.284  0.729  0.526  1.0
  P  P11  1  0.271  0.716  0.974  1.0
  O  O12  1  0.298  0.535  0.668  1.0
  O  O13  1  0.465  0.702  0.832  1.0
  O  O14  1  0.702  0.465  0.332  1.0
  O  O15  1  0.535  0.298  0.168  1.0
  O  O16  1  0.490  0.260  0.555  1.0
  O  O17  1  0.740  0.510  0.945  1.0
  O  O18  1  0.510  0.740  0.445  1.0
  O  O19  1  0.260  0.490  0.055  1.0
  O  O20  1  0.355  0.192  0.840  1.0
  O  O21  1  0.808  0.645  0.660  1.0
  O  O22  1  0.645  0.808  0.160  1.0
  O  O23  1  0.192  0.355  0.340  1.0
  O  O24  1  0.132  0.290  0.676  1.0
  O  O25  1  0.710  0.868  0.824  1.0
  O  O26  1  0.868  0.710  0.324  1.0
  O  O27  1  0.290  0.132  0.176  1.0
  O  O28  1  0.794  0.307  0.574  1.0
  O  O29  1  0.693  0.206  0.926  1.0
  O  O30  1  0.206  0.693  0.426  1.0
  O  O31  1  0.307  0.794  0.074  1.0
  O  O32  1  0.817  0.100  0.419  1.0
  O  O33  1  0.900  0.183  0.081  1.0
  O  O34  1  0.183  0.900  0.581  1.0
  O  O35  1  0.100  0.817  0.919  1.0
[/CIF]
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