The structure described by Na2CaMnAl2P2H2(O5F2)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent F(1), and two equivalent F(2) atoms. Ca(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(1) atoms to form distorted CaO4F2 octahedra that share corners with two equivalent Al(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Al(2)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ca(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form AlO4F2 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Al(2)O4F2 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form AlO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Al(1)O4F2 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4F2 octahedra,  a cornercorner with one Al(2)O4F2 octahedra, corners with two equivalent Ca(1)O4F2 octahedra, and corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Al(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1), one Ca(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FNa2CaAl tetrahedra. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CaMnAl2P2H2(O5F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   6.803
_cell_length_c   7.121
_cell_angle_alpha   89.696
_cell_angle_beta   89.424
_cell_angle_gamma   70.766
_symmetry_Int_Tables_number   1
_cell_volume   248.152
_cell_formula_units_Z   1
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
  Al  Al0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.646  0.144  0.498  1.0
  F  F4  1  0.347  0.835  0.988  1.0
  F  F5  1  0.354  0.856  0.502  1.0
  F  F6  1  0.653  0.165  0.012  1.0
  H  H7  1  0.044  0.762  0.250  1.0
  H  H8  1  0.956  0.238  0.750  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Na  Na10  1  0.532  0.955  0.239  1.0
  Na  Na11  1  0.468  0.045  0.761  1.0
  O  O12  1  0.982  0.915  0.251  1.0
  O  O13  1  0.018  0.085  0.749  1.0
  O  O14  1  0.750  0.517  0.226  1.0
  O  O15  1  0.250  0.483  0.774  1.0
  O  O16  1  0.062  0.246  0.425  1.0
  O  O17  1  0.894  0.782  0.924  1.0
  O  O18  1  0.938  0.754  0.575  1.0
  O  O19  1  0.106  0.218  0.076  1.0
  O  O20  1  0.229  0.492  0.239  1.0
  O  O21  1  0.771  0.508  0.761  1.0
  P  P22  1  0.035  0.370  0.240  1.0
  P  P23  1  0.965  0.630  0.760  1.0
[/CIF]
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The structure described by Na2CaMnAl2P2H2(O5F2)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent F(1), and two equivalent F(2) atoms. Ca(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(1) atoms to form distorted CaO4F2 octahedra that share corners with two equivalent Al(1)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 60°. Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with two equivalent Al(2)O4F2 octahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ca(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form AlO4F2 octahedra that share corners with two equivalent Ca(1)O4F2 octahedra, corners with two equivalent Al(2)O4F2 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(2) atoms to form AlO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Al(1)O4F2 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-53°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4F2 octahedra,  a cornercorner with one Al(2)O4F2 octahedra, corners with two equivalent Ca(1)O4F2 octahedra, and corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-68°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ca(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(1), one Al(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1), one Ca(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing FNa2CaAl tetrahedra. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Mn(1), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2CaMnAl2P2H2(O5F2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.426
_cell_length_b   6.803
_cell_length_c   7.121
_cell_angle_alpha   89.696
_cell_angle_beta   89.424
_cell_angle_gamma   70.766
_symmetry_Int_Tables_number   1
_cell_volume   248.152
_cell_formula_units_Z   1
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
  Al  Al0  1  0.000  0.000  0.500  1.0
  Al  Al1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  F  F3  1  0.646  0.144  0.498  1.0
  F  F4  1  0.347  0.835  0.988  1.0
  F  F5  1  0.354  0.856  0.502  1.0
  F  F6  1  0.653  0.165  0.012  1.0
  H  H7  1  0.044  0.762  0.250  1.0
  H  H8  1  0.956  0.238  0.750  1.0
  Mn  Mn9  1  0.500  0.500  0.000  1.0
  Na  Na10  1  0.532  0.955  0.239  1.0
  Na  Na11  1  0.468  0.045  0.761  1.0
  O  O12  1  0.982  0.915  0.251  1.0
  O  O13  1  0.018  0.085  0.749  1.0
  O  O14  1  0.750  0.517  0.226  1.0
  O  O15  1  0.250  0.483  0.774  1.0
  O  O16  1  0.062  0.246  0.425  1.0
  O  O17  1  0.894  0.782  0.924  1.0
  O  O18  1  0.938  0.754  0.575  1.0
  O  O19  1  0.106  0.218  0.076  1.0
  O  O20  1  0.229  0.492  0.239  1.0
  O  O21  1  0.771  0.508  0.761  1.0
  P  P22  1  0.035  0.370  0.240  1.0
  P  P23  1  0.965  0.630  0.760  1.0
[/CIF]
.