The structure described by Na3SrCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Na site, Na(2) 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. Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. 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 in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Sr(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Sr(1), and one C(1) atom to form distorted corner-sharing ONa3SrC trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sr(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Sr(1), and one P(1) atom to form corner-sharing ONa2SrP tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Sr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3SrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.318
_cell_length_b   5.243
_cell_length_c   9.413
_cell_angle_alpha   89.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.173
_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  0.750  0.241  0.917  1.0
  Na  Na1  1  0.988  0.762  0.750  1.0
  Na  Na2  1  0.512  0.762  0.750  1.0
  Na  Na3  1  0.488  0.238  0.250  1.0
  Na  Na4  1  0.012  0.238  0.250  1.0
  Na  Na5  1  0.250  0.759  0.083  1.0
  Sr  Sr6  1  0.250  0.239  0.631  1.0
  Sr  Sr7  1  0.750  0.761  0.369  1.0
  P  P8  1  0.750  0.299  0.600  1.0
  P  P9  1  0.250  0.701  0.400  1.0
  C  C10  1  0.250  0.267  0.948  1.0
  C  C11  1  0.750  0.733  0.052  1.0
  O  O12  1  0.750  0.717  0.914  1.0
  O  O13  1  0.250  0.043  0.888  1.0
  O  O14  1  0.250  0.475  0.871  1.0
  O  O15  1  0.921  0.190  0.678  1.0
  O  O16  1  0.579  0.190  0.678  1.0
  O  O17  1  0.750  0.596  0.611  1.0
  O  O18  1  0.250  0.764  0.563  1.0
  O  O19  1  0.750  0.236  0.437  1.0
  O  O20  1  0.250  0.404  0.389  1.0
  O  O21  1  0.421  0.810  0.322  1.0
  O  O22  1  0.079  0.810  0.322  1.0
  O  O23  1  0.750  0.525  0.129  1.0
  O  O24  1  0.750  0.957  0.112  1.0
  O  O25  1  0.250  0.283  0.086  1.0
[/CIF]
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The structure described by Na3SrCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second Na site, Na(2) 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. Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. 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 in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), one Sr(1), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Sr(1), and one C(1) atom to form distorted corner-sharing ONa3SrC trigonal bipyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sr(1), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Na(2), one Sr(1), and one P(1) atom to form corner-sharing ONa2SrP tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Sr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Na3SrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.318
_cell_length_b   5.243
_cell_length_c   9.413
_cell_angle_alpha   89.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.173
_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  0.750  0.241  0.917  1.0
  Na  Na1  1  0.988  0.762  0.750  1.0
  Na  Na2  1  0.512  0.762  0.750  1.0
  Na  Na3  1  0.488  0.238  0.250  1.0
  Na  Na4  1  0.012  0.238  0.250  1.0
  Na  Na5  1  0.250  0.759  0.083  1.0
  Sr  Sr6  1  0.250  0.239  0.631  1.0
  Sr  Sr7  1  0.750  0.761  0.369  1.0
  P  P8  1  0.750  0.299  0.600  1.0
  P  P9  1  0.250  0.701  0.400  1.0
  C  C10  1  0.250  0.267  0.948  1.0
  C  C11  1  0.750  0.733  0.052  1.0
  O  O12  1  0.750  0.717  0.914  1.0
  O  O13  1  0.250  0.043  0.888  1.0
  O  O14  1  0.250  0.475  0.871  1.0
  O  O15  1  0.921  0.190  0.678  1.0
  O  O16  1  0.579  0.190  0.678  1.0
  O  O17  1  0.750  0.596  0.611  1.0
  O  O18  1  0.250  0.764  0.563  1.0
  O  O19  1  0.750  0.236  0.437  1.0
  O  O20  1  0.250  0.404  0.389  1.0
  O  O21  1  0.421  0.810  0.322  1.0
  O  O22  1  0.079  0.810  0.322  1.0
  O  O23  1  0.750  0.525  0.129  1.0
  O  O24  1  0.750  0.957  0.112  1.0
  O  O25  1  0.250  0.283  0.086  1.0
[/CIF]
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