The material structure described by K2AlCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Al(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form AlO6 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 Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), one Al(1), and one C(1) atom to form distorted edge-sharing OK2AlC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent K(1), one Al(1), and one C(1) atom to form distorted edge-sharing OK2AlC tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Al(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2AlPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   5.405
_cell_length_c   9.501
_cell_angle_alpha   90.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.763
_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  0.029  0.244  0.757  1.0
  K  K1  1  0.471  0.244  0.757  1.0
  K  K2  1  0.529  0.756  0.243  1.0
  K  K3  1  0.971  0.756  0.243  1.0
  Al  Al4  1  0.750  0.766  0.642  1.0
  Al  Al5  1  0.250  0.234  0.358  1.0
  P  P6  1  0.250  0.733  0.562  1.0
  P  P7  1  0.750  0.267  0.438  1.0
  C  C8  1  0.750  0.729  0.891  1.0
  C  C9  1  0.250  0.271  0.109  1.0
  O  O10  1  0.250  0.296  0.979  1.0
  O  O11  1  0.750  0.940  0.823  1.0
  O  O12  1  0.750  0.545  0.800  1.0
  O  O13  1  0.056  0.763  0.652  1.0
  O  O14  1  0.444  0.763  0.652  1.0
  O  O15  1  0.750  0.070  0.554  1.0
  O  O16  1  0.250  0.469  0.498  1.0
  O  O17  1  0.750  0.531  0.502  1.0
  O  O18  1  0.250  0.930  0.446  1.0
  O  O19  1  0.556  0.237  0.348  1.0
  O  O20  1  0.944  0.237  0.348  1.0
  O  O21  1  0.250  0.455  0.200  1.0
  O  O22  1  0.250  0.060  0.177  1.0
  O  O23  1  0.750  0.704  0.021  1.0
[/CIF]
.
The material structure described by K2AlCPO7 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Al(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form AlO6 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 Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent K(1), one Al(1), and one C(1) atom to form distorted edge-sharing OK2AlC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent K(1), one Al(1), and one C(1) atom to form distorted edge-sharing OK2AlC tetrahedra. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Al(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Al(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K2AlPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.519
_cell_length_b   5.405
_cell_length_c   9.501
_cell_angle_alpha   90.174
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   334.763
_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  0.029  0.244  0.757  1.0
  K  K1  1  0.471  0.244  0.757  1.0
  K  K2  1  0.529  0.756  0.243  1.0
  K  K3  1  0.971  0.756  0.243  1.0
  Al  Al4  1  0.750  0.766  0.642  1.0
  Al  Al5  1  0.250  0.234  0.358  1.0
  P  P6  1  0.250  0.733  0.562  1.0
  P  P7  1  0.750  0.267  0.438  1.0
  C  C8  1  0.750  0.729  0.891  1.0
  C  C9  1  0.250  0.271  0.109  1.0
  O  O10  1  0.250  0.296  0.979  1.0
  O  O11  1  0.750  0.940  0.823  1.0
  O  O12  1  0.750  0.545  0.800  1.0
  O  O13  1  0.056  0.763  0.652  1.0
  O  O14  1  0.444  0.763  0.652  1.0
  O  O15  1  0.750  0.070  0.554  1.0
  O  O16  1  0.250  0.469  0.498  1.0
  O  O17  1  0.750  0.531  0.502  1.0
  O  O18  1  0.250  0.930  0.446  1.0
  O  O19  1  0.556  0.237  0.348  1.0
  O  O20  1  0.944  0.237  0.348  1.0
  O  O21  1  0.250  0.455  0.200  1.0
  O  O22  1  0.250  0.060  0.177  1.0
  O  O23  1  0.750  0.704  0.021  1.0
[/CIF]
.