The crystal structure described by K3SrCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(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 K site, K(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Sr(1)O6 octahedra, corners with two equivalent K(2)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Sr(1)O6 octahedra,  an edgeedge with one K(2)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Sr(1)O6 octahedra, and  a faceface with one K(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 70°. Sr(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SrO6 octahedra that share corners with two equivalent K(2)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent K(2)O7 pentagonal bipyramids, and faces with two equivalent K(2)O7 pentagonal bipyramids. 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 Sr(1)O6 octahedra, corners with four equivalent K(2)O7 pentagonal bipyramids, and edges with two equivalent K(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Sr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Sr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one Sr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(2), one Sr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Sr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3SrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   5.763
_cell_length_c   10.032
_cell_angle_alpha   89.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.297
_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
  K  K0  1  0.250  0.761  0.916  1.0
  K  K1  1  0.005  0.252  0.742  1.0
  K  K2  1  0.495  0.252  0.742  1.0
  K  K3  1  0.505  0.748  0.258  1.0
  K  K4  1  0.995  0.748  0.258  1.0
  K  K5  1  0.750  0.239  0.084  1.0
  Sr  Sr6  1  0.750  0.774  0.634  1.0
  Sr  Sr7  1  0.250  0.226  0.366  1.0
  P  P8  1  0.250  0.701  0.589  1.0
  P  P9  1  0.750  0.299  0.411  1.0
  C  C10  1  0.750  0.737  0.937  1.0
  C  C11  1  0.250  0.263  0.063  1.0
  O  O12  1  0.250  0.280  0.934  1.0
  O  O13  1  0.750  0.940  0.878  1.0
  O  O14  1  0.750  0.550  0.864  1.0
  O  O15  1  0.083  0.776  0.669  1.0
  O  O16  1  0.417  0.776  0.669  1.0
  O  O17  1  0.250  0.431  0.576  1.0
  O  O18  1  0.750  0.187  0.554  1.0
  O  O19  1  0.250  0.813  0.446  1.0
  O  O20  1  0.750  0.569  0.424  1.0
  O  O21  1  0.583  0.224  0.331  1.0
  O  O22  1  0.917  0.224  0.331  1.0
  O  O23  1  0.250  0.450  0.136  1.0
  O  O24  1  0.250  0.060  0.122  1.0
  O  O25  1  0.750  0.720  0.066  1.0
[/CIF]
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The crystal structure described by K3SrCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(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 K site, K(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted KO7 pentagonal bipyramids that share  a cornercorner with one Sr(1)O6 octahedra, corners with two equivalent K(2)O7 pentagonal bipyramids, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Sr(1)O6 octahedra,  an edgeedge with one K(2)O7 pentagonal bipyramid,  an edgeedge with one P(1)O4 tetrahedra,  a faceface with one Sr(1)O6 octahedra, and  a faceface with one K(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 70°. Sr(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted SrO6 octahedra that share corners with two equivalent K(2)O7 pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent K(2)O7 pentagonal bipyramids, and faces with two equivalent K(2)O7 pentagonal bipyramids. 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 Sr(1)O6 octahedra, corners with four equivalent K(2)O7 pentagonal bipyramids, and edges with two equivalent K(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Sr(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Sr(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(1), two equivalent K(2), one Sr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(2), one Sr(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Sr(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3SrPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.599
_cell_length_b   5.763
_cell_length_c   10.032
_cell_angle_alpha   89.154
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   439.297
_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
  K  K0  1  0.250  0.761  0.916  1.0
  K  K1  1  0.005  0.252  0.742  1.0
  K  K2  1  0.495  0.252  0.742  1.0
  K  K3  1  0.505  0.748  0.258  1.0
  K  K4  1  0.995  0.748  0.258  1.0
  K  K5  1  0.750  0.239  0.084  1.0
  Sr  Sr6  1  0.750  0.774  0.634  1.0
  Sr  Sr7  1  0.250  0.226  0.366  1.0
  P  P8  1  0.250  0.701  0.589  1.0
  P  P9  1  0.750  0.299  0.411  1.0
  C  C10  1  0.750  0.737  0.937  1.0
  C  C11  1  0.250  0.263  0.063  1.0
  O  O12  1  0.250  0.280  0.934  1.0
  O  O13  1  0.750  0.940  0.878  1.0
  O  O14  1  0.750  0.550  0.864  1.0
  O  O15  1  0.083  0.776  0.669  1.0
  O  O16  1  0.417  0.776  0.669  1.0
  O  O17  1  0.250  0.431  0.576  1.0
  O  O18  1  0.750  0.187  0.554  1.0
  O  O19  1  0.250  0.813  0.446  1.0
  O  O20  1  0.750  0.569  0.424  1.0
  O  O21  1  0.583  0.224  0.331  1.0
  O  O22  1  0.917  0.224  0.331  1.0
  O  O23  1  0.250  0.450  0.136  1.0
  O  O24  1  0.250  0.060  0.122  1.0
  O  O25  1  0.750  0.720  0.066  1.0
[/CIF]
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