The material described by Na3Fe2P(CO4)4 crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(8) atom. P(1) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one C(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the seventh O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one C(2) atom. In the eighth O site, O(7) is bonded in a distorted L-shaped geometry to one Na(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Na3Fe2P(CO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.843
_cell_length_b   9.926
_cell_length_c   9.843
_cell_angle_alpha   60.301
_cell_angle_beta   89.960
_cell_angle_gamma   119.699
_symmetry_Int_Tables_number   1
_cell_volume   685.879
_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
  Na  Na0  1  0.348  0.264  0.332  1.0
  Na  Na1  1  0.904  0.236  0.915  1.0
  Na  Na2  1  0.085  0.736  0.096  1.0
  Na  Na3  1  0.668  0.764  0.652  1.0
  Na  Na4  1  0.340  0.250  0.910  1.0
  Na  Na5  1  0.090  0.750  0.660  1.0
  Fe  Fe6  1  0.500  0.993  0.002  1.0
  Fe  Fe7  1  0.507  0.007  0.495  1.0
  Fe  Fe8  1  0.505  0.507  0.493  1.0
  Fe  Fe9  1  0.998  0.493  0.500  1.0
  P  P10  1  0.125  0.250  0.125  1.0
  P  P11  1  0.875  0.750  0.875  1.0
  C  C12  1  0.715  0.076  0.711  1.0
  C  C13  1  0.713  0.424  0.361  1.0
  C  C14  1  0.358  0.076  0.714  1.0
  C  C15  1  0.711  0.424  0.717  1.0
  C  C16  1  0.639  0.924  0.287  1.0
  C  C17  1  0.289  0.576  0.285  1.0
  C  C18  1  0.286  0.576  0.642  1.0
  C  C19  1  0.283  0.924  0.289  1.0
  O  O20  1  0.647  0.042  0.141  1.0
  O  O21  1  0.856  0.219  0.598  1.0
  O  O22  1  0.683  0.281  0.363  1.0
  O  O23  1  0.393  0.043  0.317  1.0
  O  O24  1  0.859  0.542  0.353  1.0
  O  O25  1  0.316  0.374  0.065  1.0
  O  O26  1  0.062  0.126  0.057  1.0
  O  O27  1  0.598  0.452  0.361  1.0
  O  O28  1  0.687  0.048  0.855  1.0
  O  O29  1  0.353  0.042  0.600  1.0
  O  O30  1  0.858  0.458  0.689  1.0
  O  O31  1  0.065  0.380  0.057  1.0
  O  O32  1  0.062  0.120  0.315  1.0
  O  O33  1  0.637  0.781  0.317  1.0
  O  O34  1  0.402  0.719  0.144  1.0
  O  O35  1  0.683  0.543  0.607  1.0
  O  O36  1  0.316  0.458  0.396  1.0
  O  O37  1  0.366  0.222  0.683  1.0
  O  O38  1  0.595  0.278  0.857  1.0
  O  O39  1  0.935  0.874  0.684  1.0
  O  O40  1  0.943  0.626  0.938  1.0
  O  O41  1  0.145  0.548  0.313  1.0
  O  O42  1  0.639  0.952  0.402  1.0
  O  O43  1  0.311  0.958  0.142  1.0
  O  O44  1  0.400  0.542  0.647  1.0
  O  O45  1  0.943  0.880  0.935  1.0
  O  O46  1  0.685  0.620  0.938  1.0
  O  O47  1  0.140  0.457  0.650  1.0
  O  O48  1  0.604  0.958  0.684  1.0
  O  O49  1  0.317  0.722  0.634  1.0
  O  O50  1  0.143  0.778  0.405  1.0
  O  O51  1  0.350  0.957  0.860  1.0
[/CIF]
.
The material described by Na3Fe2P(CO4)4 crystallizes in the orthorhombic Fdd2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. Fe(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(8) atom. P(1) is bonded in a tetrahedral geometry to two equivalent O(4) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Fe(1), and one C(2) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one C(1) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(2) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one C(1) atom. In the seventh O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Fe(1), and one C(2) atom. In the eighth O site, O(7) is bonded in a distorted L-shaped geometry to one Na(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Na3Fe2P(CO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.843
_cell_length_b   9.926
_cell_length_c   9.843
_cell_angle_alpha   60.301
_cell_angle_beta   89.960
_cell_angle_gamma   119.699
_symmetry_Int_Tables_number   1
_cell_volume   685.879
_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
  Na  Na0  1  0.348  0.264  0.332  1.0
  Na  Na1  1  0.904  0.236  0.915  1.0
  Na  Na2  1  0.085  0.736  0.096  1.0
  Na  Na3  1  0.668  0.764  0.652  1.0
  Na  Na4  1  0.340  0.250  0.910  1.0
  Na  Na5  1  0.090  0.750  0.660  1.0
  Fe  Fe6  1  0.500  0.993  0.002  1.0
  Fe  Fe7  1  0.507  0.007  0.495  1.0
  Fe  Fe8  1  0.505  0.507  0.493  1.0
  Fe  Fe9  1  0.998  0.493  0.500  1.0
  P  P10  1  0.125  0.250  0.125  1.0
  P  P11  1  0.875  0.750  0.875  1.0
  C  C12  1  0.715  0.076  0.711  1.0
  C  C13  1  0.713  0.424  0.361  1.0
  C  C14  1  0.358  0.076  0.714  1.0
  C  C15  1  0.711  0.424  0.717  1.0
  C  C16  1  0.639  0.924  0.287  1.0
  C  C17  1  0.289  0.576  0.285  1.0
  C  C18  1  0.286  0.576  0.642  1.0
  C  C19  1  0.283  0.924  0.289  1.0
  O  O20  1  0.647  0.042  0.141  1.0
  O  O21  1  0.856  0.219  0.598  1.0
  O  O22  1  0.683  0.281  0.363  1.0
  O  O23  1  0.393  0.043  0.317  1.0
  O  O24  1  0.859  0.542  0.353  1.0
  O  O25  1  0.316  0.374  0.065  1.0
  O  O26  1  0.062  0.126  0.057  1.0
  O  O27  1  0.598  0.452  0.361  1.0
  O  O28  1  0.687  0.048  0.855  1.0
  O  O29  1  0.353  0.042  0.600  1.0
  O  O30  1  0.858  0.458  0.689  1.0
  O  O31  1  0.065  0.380  0.057  1.0
  O  O32  1  0.062  0.120  0.315  1.0
  O  O33  1  0.637  0.781  0.317  1.0
  O  O34  1  0.402  0.719  0.144  1.0
  O  O35  1  0.683  0.543  0.607  1.0
  O  O36  1  0.316  0.458  0.396  1.0
  O  O37  1  0.366  0.222  0.683  1.0
  O  O38  1  0.595  0.278  0.857  1.0
  O  O39  1  0.935  0.874  0.684  1.0
  O  O40  1  0.943  0.626  0.938  1.0
  O  O41  1  0.145  0.548  0.313  1.0
  O  O42  1  0.639  0.952  0.402  1.0
  O  O43  1  0.311  0.958  0.142  1.0
  O  O44  1  0.400  0.542  0.647  1.0
  O  O45  1  0.943  0.880  0.935  1.0
  O  O46  1  0.685  0.620  0.938  1.0
  O  O47  1  0.140  0.457  0.650  1.0
  O  O48  1  0.604  0.958  0.684  1.0
  O  O49  1  0.317  0.722  0.634  1.0
  O  O50  1  0.143  0.778  0.405  1.0
  O  O51  1  0.350  0.957  0.860  1.0
[/CIF]
.