The structure described by Na2FeBPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2FeBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.080
_cell_length_b   6.644
_cell_length_c   5.287
_cell_angle_alpha   90.000
_cell_angle_beta   88.656
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.888
_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  0.234  0.497  0.238  1.0
  Na  Na1  1  0.234  0.003  0.238  1.0
  Na  Na2  1  0.766  0.503  0.762  1.0
  Na  Na3  1  0.766  0.997  0.762  1.0
  Fe  Fe4  1  0.350  0.750  0.779  1.0
  Fe  Fe5  1  0.650  0.250  0.221  1.0
  B  B6  1  0.081  0.750  0.727  1.0
  B  B7  1  0.919  0.250  0.273  1.0
  P  P8  1  0.428  0.250  0.723  1.0
  P  P9  1  0.572  0.750  0.277  1.0
  O  O10  1  0.065  0.250  0.300  1.0
  O  O11  1  0.147  0.750  0.959  1.0
  O  O12  1  0.186  0.750  0.532  1.0
  O  O13  1  0.337  0.060  0.790  1.0
  O  O14  1  0.337  0.440  0.790  1.0
  O  O15  1  0.425  0.750  0.132  1.0
  O  O16  1  0.466  0.250  0.431  1.0
  O  O17  1  0.534  0.750  0.569  1.0
  O  O18  1  0.575  0.250  0.868  1.0
  O  O19  1  0.663  0.560  0.210  1.0
  O  O20  1  0.663  0.940  0.210  1.0
  O  O21  1  0.814  0.250  0.468  1.0
  O  O22  1  0.853  0.250  0.041  1.0
  O  O23  1  0.935  0.750  0.700  1.0
[/CIF]
.
The structure described by Na2FeBPO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Fe(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Fe(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Fe(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Fe(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2FeBPO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.080
_cell_length_b   6.644
_cell_length_c   5.287
_cell_angle_alpha   90.000
_cell_angle_beta   88.656
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   318.888
_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  0.234  0.497  0.238  1.0
  Na  Na1  1  0.234  0.003  0.238  1.0
  Na  Na2  1  0.766  0.503  0.762  1.0
  Na  Na3  1  0.766  0.997  0.762  1.0
  Fe  Fe4  1  0.350  0.750  0.779  1.0
  Fe  Fe5  1  0.650  0.250  0.221  1.0
  B  B6  1  0.081  0.750  0.727  1.0
  B  B7  1  0.919  0.250  0.273  1.0
  P  P8  1  0.428  0.250  0.723  1.0
  P  P9  1  0.572  0.750  0.277  1.0
  O  O10  1  0.065  0.250  0.300  1.0
  O  O11  1  0.147  0.750  0.959  1.0
  O  O12  1  0.186  0.750  0.532  1.0
  O  O13  1  0.337  0.060  0.790  1.0
  O  O14  1  0.337  0.440  0.790  1.0
  O  O15  1  0.425  0.750  0.132  1.0
  O  O16  1  0.466  0.250  0.431  1.0
  O  O17  1  0.534  0.750  0.569  1.0
  O  O18  1  0.575  0.250  0.868  1.0
  O  O19  1  0.663  0.560  0.210  1.0
  O  O20  1  0.663  0.940  0.210  1.0
  O  O21  1  0.814  0.250  0.468  1.0
  O  O22  1  0.853  0.250  0.041  1.0
  O  O23  1  0.935  0.750  0.700  1.0
[/CIF]
.