The crystal structure described by Na2GaCPO7 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. Ga(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form GaO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(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 Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Ga(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Ga(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ga(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 Ga(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ga(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2GaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   5.175
_cell_length_c   8.964
_cell_angle_alpha   89.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.727
_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  0.503  0.767  0.772  1.0
  Na  Na1  1  0.997  0.767  0.772  1.0
  Na  Na2  1  0.497  0.233  0.228  1.0
  Na  Na3  1  0.003  0.233  0.228  1.0
  Ga  Ga4  1  0.250  0.222  0.648  1.0
  Ga  Ga5  1  0.750  0.778  0.352  1.0
  P  P6  1  0.750  0.285  0.573  1.0
  P  P7  1  0.250  0.715  0.427  1.0
  C  C8  1  0.250  0.269  0.923  1.0
  C  C9  1  0.750  0.731  0.077  1.0
  O  O10  1  0.750  0.699  0.938  1.0
  O  O11  1  0.250  0.044  0.857  1.0
  O  O12  1  0.250  0.465  0.826  1.0
  O  O13  1  0.941  0.212  0.665  1.0
  O  O14  1  0.559  0.212  0.665  1.0
  O  O15  1  0.250  0.856  0.580  1.0
  O  O16  1  0.750  0.586  0.541  1.0
  O  O17  1  0.250  0.414  0.459  1.0
  O  O18  1  0.750  0.144  0.420  1.0
  O  O19  1  0.441  0.788  0.335  1.0
  O  O20  1  0.059  0.788  0.335  1.0
  O  O21  1  0.750  0.535  0.174  1.0
  O  O22  1  0.750  0.956  0.143  1.0
  O  O23  1  0.250  0.301  0.062  1.0
[/CIF]
.
The crystal structure described by Na2GaCPO7 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. Ga(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form GaO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(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 Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Ga(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to two equivalent Na(1), one Ga(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ga(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 Ga(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ga(1), and one P(1) atom. is represented by the CIF card [CIF]
data_Na2GaPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   5.175
_cell_length_c   8.964
_cell_angle_alpha   89.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.727
_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  0.503  0.767  0.772  1.0
  Na  Na1  1  0.997  0.767  0.772  1.0
  Na  Na2  1  0.497  0.233  0.228  1.0
  Na  Na3  1  0.003  0.233  0.228  1.0
  Ga  Ga4  1  0.250  0.222  0.648  1.0
  Ga  Ga5  1  0.750  0.778  0.352  1.0
  P  P6  1  0.750  0.285  0.573  1.0
  P  P7  1  0.250  0.715  0.427  1.0
  C  C8  1  0.250  0.269  0.923  1.0
  C  C9  1  0.750  0.731  0.077  1.0
  O  O10  1  0.750  0.699  0.938  1.0
  O  O11  1  0.250  0.044  0.857  1.0
  O  O12  1  0.250  0.465  0.826  1.0
  O  O13  1  0.941  0.212  0.665  1.0
  O  O14  1  0.559  0.212  0.665  1.0
  O  O15  1  0.250  0.856  0.580  1.0
  O  O16  1  0.750  0.586  0.541  1.0
  O  O17  1  0.250  0.414  0.459  1.0
  O  O18  1  0.750  0.144  0.420  1.0
  O  O19  1  0.441  0.788  0.335  1.0
  O  O20  1  0.059  0.788  0.335  1.0
  O  O21  1  0.750  0.535  0.174  1.0
  O  O22  1  0.750  0.956  0.143  1.0
  O  O23  1  0.250  0.301  0.062  1.0
[/CIF]
.