The crystal structure described by K2CuP4H8O15 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(3), and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(4) and four equivalent O(2) atoms. P(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Cu(1), and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(1) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Cu(1), and two equivalent H(2) atoms. In the fourth O site, O(5) is bonded in a linear geometry to two equivalent K(1) atoms. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuP4H8O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.002
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   103.232
_cell_angle_beta   98.582
_cell_angle_gamma   98.582
_symmetry_Int_Tables_number   1
_cell_volume   414.142
_cell_formula_units_Z   1
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  0.908  0.289  0.289  1.0
  K  K1  1  0.092  0.711  0.711  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.337  0.258  0.727  1.0
  P  P4  1  0.337  0.727  0.258  1.0
  P  P5  1  0.663  0.742  0.273  1.0
  P  P6  1  0.663  0.273  0.742  1.0
  H  H7  1  0.245  0.006  0.514  1.0
  H  H8  1  0.245  0.514  0.006  1.0
  H  H9  1  0.755  0.994  0.486  1.0
  H  H10  1  0.755  0.486  0.994  1.0
  H  H11  1  0.602  0.744  0.871  1.0
  H  H12  1  0.602  0.871  0.744  1.0
  H  H13  1  0.398  0.256  0.129  1.0
  H  H14  1  0.398  0.129  0.256  1.0
  O  O15  1  0.284  0.313  0.908  1.0
  O  O16  1  0.284  0.908  0.313  1.0
  O  O17  1  0.716  0.687  0.092  1.0
  O  O18  1  0.716  0.092  0.687  1.0
  O  O19  1  0.286  0.371  0.597  1.0
  O  O20  1  0.286  0.597  0.371  1.0
  O  O21  1  0.714  0.629  0.403  1.0
  O  O22  1  0.714  0.403  0.629  1.0
  O  O23  1  0.229  0.057  0.640  1.0
  O  O24  1  0.229  0.640  0.057  1.0
  O  O25  1  0.771  0.943  0.360  1.0
  O  O26  1  0.771  0.360  0.943  1.0
  O  O27  1  0.534  0.759  0.759  1.0
  O  O28  1  0.466  0.241  0.241  1.0
  O  O29  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by K2CuP4H8O15 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(3), and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(4) and four equivalent O(2) atoms. P(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Cu(1), and one P(1) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one H(1) atom. In the third O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Cu(1), and two equivalent H(2) atoms. In the fourth O site, O(5) is bonded in a linear geometry to two equivalent K(1) atoms. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CuP4H8O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.002
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   103.232
_cell_angle_beta   98.582
_cell_angle_gamma   98.582
_symmetry_Int_Tables_number   1
_cell_volume   414.142
_cell_formula_units_Z   1
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  0.908  0.289  0.289  1.0
  K  K1  1  0.092  0.711  0.711  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  P  P3  1  0.337  0.258  0.727  1.0
  P  P4  1  0.337  0.727  0.258  1.0
  P  P5  1  0.663  0.742  0.273  1.0
  P  P6  1  0.663  0.273  0.742  1.0
  H  H7  1  0.245  0.006  0.514  1.0
  H  H8  1  0.245  0.514  0.006  1.0
  H  H9  1  0.755  0.994  0.486  1.0
  H  H10  1  0.755  0.486  0.994  1.0
  H  H11  1  0.602  0.744  0.871  1.0
  H  H12  1  0.602  0.871  0.744  1.0
  H  H13  1  0.398  0.256  0.129  1.0
  H  H14  1  0.398  0.129  0.256  1.0
  O  O15  1  0.284  0.313  0.908  1.0
  O  O16  1  0.284  0.908  0.313  1.0
  O  O17  1  0.716  0.687  0.092  1.0
  O  O18  1  0.716  0.092  0.687  1.0
  O  O19  1  0.286  0.371  0.597  1.0
  O  O20  1  0.286  0.597  0.371  1.0
  O  O21  1  0.714  0.629  0.403  1.0
  O  O22  1  0.714  0.403  0.629  1.0
  O  O23  1  0.229  0.057  0.640  1.0
  O  O24  1  0.229  0.640  0.057  1.0
  O  O25  1  0.771  0.943  0.360  1.0
  O  O26  1  0.771  0.360  0.943  1.0
  O  O27  1  0.534  0.759  0.759  1.0
  O  O28  1  0.466  0.241  0.241  1.0
  O  O29  1  0.000  0.000  0.000  1.0
[/CIF]
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