The material described by RbCuPO4 crystallizes in the orthorhombic Pna2_1 space group. Rb(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Rb(1), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_RbCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   9.064
_cell_length_c   9.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.789
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.510  0.305  0.512  1.0
  Rb  Rb1  1  0.010  0.805  0.988  1.0
  Rb  Rb2  1  0.010  0.695  0.488  1.0
  Rb  Rb3  1  0.510  0.195  0.012  1.0
  Cu  Cu4  1  0.530  0.585  0.168  1.0
  Cu  Cu5  1  0.030  0.415  0.832  1.0
  Cu  Cu6  1  0.530  0.915  0.668  1.0
  Cu  Cu7  1  0.030  0.085  0.332  1.0
  P  P8  1  0.519  0.591  0.809  1.0
  P  P9  1  0.019  0.409  0.191  1.0
  P  P10  1  0.019  0.091  0.691  1.0
  P  P11  1  0.519  0.909  0.309  1.0
  O  O12  1  0.173  0.553  0.211  1.0
  O  O13  1  0.173  0.947  0.711  1.0
  O  O14  1  0.493  0.863  0.467  1.0
  O  O15  1  0.154  0.218  0.769  1.0
  O  O16  1  0.493  0.637  0.967  1.0
  O  O17  1  0.754  0.061  0.757  1.0
  O  O18  1  0.673  0.053  0.289  1.0
  O  O19  1  0.673  0.447  0.789  1.0
  O  O20  1  0.654  0.782  0.231  1.0
  O  O21  1  0.754  0.439  0.257  1.0
  O  O22  1  0.254  0.561  0.743  1.0
  O  O23  1  0.154  0.282  0.269  1.0
  O  O24  1  0.254  0.939  0.243  1.0
  O  O25  1  0.993  0.137  0.533  1.0
  O  O26  1  0.654  0.718  0.731  1.0
  O  O27  1  0.993  0.363  0.033  1.0
[/CIF]
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The material described by RbCuPO4 crystallizes in the orthorhombic Pna2_1 space group. Rb(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and three equivalent O(4) atoms. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Cu(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Rb(1), one Cu(1), and one P(1) atom. is represented by the CIF file [CIF]
data_RbCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.313
_cell_length_b   9.064
_cell_length_c   9.381
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.789
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.510  0.305  0.512  1.0
  Rb  Rb1  1  0.010  0.805  0.988  1.0
  Rb  Rb2  1  0.010  0.695  0.488  1.0
  Rb  Rb3  1  0.510  0.195  0.012  1.0
  Cu  Cu4  1  0.530  0.585  0.168  1.0
  Cu  Cu5  1  0.030  0.415  0.832  1.0
  Cu  Cu6  1  0.530  0.915  0.668  1.0
  Cu  Cu7  1  0.030  0.085  0.332  1.0
  P  P8  1  0.519  0.591  0.809  1.0
  P  P9  1  0.019  0.409  0.191  1.0
  P  P10  1  0.019  0.091  0.691  1.0
  P  P11  1  0.519  0.909  0.309  1.0
  O  O12  1  0.173  0.553  0.211  1.0
  O  O13  1  0.173  0.947  0.711  1.0
  O  O14  1  0.493  0.863  0.467  1.0
  O  O15  1  0.154  0.218  0.769  1.0
  O  O16  1  0.493  0.637  0.967  1.0
  O  O17  1  0.754  0.061  0.757  1.0
  O  O18  1  0.673  0.053  0.289  1.0
  O  O19  1  0.673  0.447  0.789  1.0
  O  O20  1  0.654  0.782  0.231  1.0
  O  O21  1  0.754  0.439  0.257  1.0
  O  O22  1  0.254  0.561  0.743  1.0
  O  O23  1  0.154  0.282  0.269  1.0
  O  O24  1  0.254  0.939  0.243  1.0
  O  O25  1  0.993  0.137  0.533  1.0
  O  O26  1  0.654  0.718  0.731  1.0
  O  O27  1  0.993  0.363  0.033  1.0
[/CIF]
.