The compound described by Na2FeP2(HO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra and corners with three equivalent P(2)HO3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(2), one O(4), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second P site, P(2) is bonded to one H(1), one O(2), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one P(2) atom. In the second O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one P(2) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2FeP2(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   9.401
_cell_length_c   12.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.692
_cell_formula_units_Z   4
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
  Na  Na0  1  0.750  0.273  0.597  1.0
  Na  Na1  1  0.750  0.227  0.097  1.0
  Na  Na2  1  0.250  0.727  0.403  1.0
  Na  Na3  1  0.250  0.773  0.903  1.0
  Na  Na4  1  0.250  0.174  0.778  1.0
  Na  Na5  1  0.250  0.326  0.278  1.0
  Na  Na6  1  0.750  0.826  0.222  1.0
  Na  Na7  1  0.750  0.674  0.722  1.0
  Fe  Fe8  1  0.250  0.864  0.658  1.0
  Fe  Fe9  1  0.250  0.636  0.158  1.0
  Fe  Fe10  1  0.750  0.136  0.342  1.0
  Fe  Fe11  1  0.750  0.364  0.842  1.0
  P  P12  1  0.750  0.872  0.515  1.0
  P  P13  1  0.750  0.628  0.015  1.0
  P  P14  1  0.250  0.128  0.485  1.0
  P  P15  1  0.250  0.372  0.985  1.0
  P  P16  1  0.250  0.497  0.687  1.0
  P  P17  1  0.250  0.003  0.187  1.0
  P  P18  1  0.750  0.503  0.313  1.0
  P  P19  1  0.750  0.997  0.813  1.0
  H  H20  1  0.250  0.504  0.572  1.0
  H  H21  1  0.250  0.996  0.072  1.0
  H  H22  1  0.750  0.496  0.428  1.0
  H  H23  1  0.750  0.004  0.928  1.0
  H  H24  1  0.750  0.997  0.578  1.0
  H  H25  1  0.750  0.503  0.078  1.0
  H  H26  1  0.250  0.003  0.422  1.0
  H  H27  1  0.250  0.497  0.922  1.0
  O  O28  1  0.980  0.789  0.549  1.0
  O  O29  1  0.520  0.711  0.049  1.0
  O  O30  1  0.480  0.211  0.451  1.0
  O  O31  1  0.020  0.289  0.951  1.0
  O  O32  1  0.020  0.211  0.451  1.0
  O  O33  1  0.480  0.289  0.951  1.0
  O  O34  1  0.520  0.789  0.549  1.0
  O  O35  1  0.980  0.711  0.049  1.0
  O  O36  1  0.250  0.650  0.730  1.0
  O  O37  1  0.250  0.850  0.230  1.0
  O  O38  1  0.750  0.350  0.270  1.0
  O  O39  1  0.750  0.150  0.770  1.0
  O  O40  1  0.984  0.914  0.784  1.0
  O  O41  1  0.516  0.586  0.284  1.0
  O  O42  1  0.484  0.086  0.216  1.0
  O  O43  1  0.016  0.414  0.716  1.0
  O  O44  1  0.016  0.086  0.216  1.0
  O  O45  1  0.484  0.414  0.716  1.0
  O  O46  1  0.516  0.914  0.784  1.0
  O  O47  1  0.984  0.586  0.284  1.0
  O  O48  1  0.250  0.083  0.604  1.0
  O  O49  1  0.250  0.417  0.104  1.0
  O  O50  1  0.750  0.917  0.396  1.0
  O  O51  1  0.750  0.583  0.896  1.0
[/CIF]
.
The compound described by Na2FeP2(HO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one H(2), one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Fe(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent P(1)HO3 tetrahedra and corners with three equivalent P(2)HO3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one H(2), one O(4), and two equivalent O(1) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. In the second P site, P(2) is bonded to one H(1), one O(2), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(2) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one P(2) atom. In the second O site, O(3) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Fe(1), and one P(2) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2FeP2(HO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   9.401
_cell_length_c   12.342
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   638.692
_cell_formula_units_Z   4
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
  Na  Na0  1  0.750  0.273  0.597  1.0
  Na  Na1  1  0.750  0.227  0.097  1.0
  Na  Na2  1  0.250  0.727  0.403  1.0
  Na  Na3  1  0.250  0.773  0.903  1.0
  Na  Na4  1  0.250  0.174  0.778  1.0
  Na  Na5  1  0.250  0.326  0.278  1.0
  Na  Na6  1  0.750  0.826  0.222  1.0
  Na  Na7  1  0.750  0.674  0.722  1.0
  Fe  Fe8  1  0.250  0.864  0.658  1.0
  Fe  Fe9  1  0.250  0.636  0.158  1.0
  Fe  Fe10  1  0.750  0.136  0.342  1.0
  Fe  Fe11  1  0.750  0.364  0.842  1.0
  P  P12  1  0.750  0.872  0.515  1.0
  P  P13  1  0.750  0.628  0.015  1.0
  P  P14  1  0.250  0.128  0.485  1.0
  P  P15  1  0.250  0.372  0.985  1.0
  P  P16  1  0.250  0.497  0.687  1.0
  P  P17  1  0.250  0.003  0.187  1.0
  P  P18  1  0.750  0.503  0.313  1.0
  P  P19  1  0.750  0.997  0.813  1.0
  H  H20  1  0.250  0.504  0.572  1.0
  H  H21  1  0.250  0.996  0.072  1.0
  H  H22  1  0.750  0.496  0.428  1.0
  H  H23  1  0.750  0.004  0.928  1.0
  H  H24  1  0.750  0.997  0.578  1.0
  H  H25  1  0.750  0.503  0.078  1.0
  H  H26  1  0.250  0.003  0.422  1.0
  H  H27  1  0.250  0.497  0.922  1.0
  O  O28  1  0.980  0.789  0.549  1.0
  O  O29  1  0.520  0.711  0.049  1.0
  O  O30  1  0.480  0.211  0.451  1.0
  O  O31  1  0.020  0.289  0.951  1.0
  O  O32  1  0.020  0.211  0.451  1.0
  O  O33  1  0.480  0.289  0.951  1.0
  O  O34  1  0.520  0.789  0.549  1.0
  O  O35  1  0.980  0.711  0.049  1.0
  O  O36  1  0.250  0.650  0.730  1.0
  O  O37  1  0.250  0.850  0.230  1.0
  O  O38  1  0.750  0.350  0.270  1.0
  O  O39  1  0.750  0.150  0.770  1.0
  O  O40  1  0.984  0.914  0.784  1.0
  O  O41  1  0.516  0.586  0.284  1.0
  O  O42  1  0.484  0.086  0.216  1.0
  O  O43  1  0.016  0.414  0.716  1.0
  O  O44  1  0.016  0.086  0.216  1.0
  O  O45  1  0.484  0.414  0.716  1.0
  O  O46  1  0.516  0.914  0.784  1.0
  O  O47  1  0.984  0.586  0.284  1.0
  O  O48  1  0.250  0.083  0.604  1.0
  O  O49  1  0.250  0.417  0.104  1.0
  O  O50  1  0.750  0.917  0.396  1.0
  O  O51  1  0.750  0.583  0.896  1.0
[/CIF]
.