The material described by SrCuH6O5 crystallizes in the monoclinic P2/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), one Cu(1), and one H(1) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Sr(1) and two equivalent H(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), one Cu(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCuH6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   5.467
_cell_length_c   7.977
_cell_angle_alpha   72.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.492
_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
  Sr  Sr0  1  0.449  0.000  0.250  1.0
  Sr  Sr1  1  0.551  0.000  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.053  0.367  0.106  1.0
  H  H5  1  0.706  0.568  0.146  1.0
  H  H6  1  0.706  0.432  0.354  1.0
  H  H7  1  0.736  0.663  0.524  1.0
  H  H8  1  0.294  0.568  0.646  1.0
  H  H9  1  0.264  0.337  0.476  1.0
  H  H10  1  0.294  0.432  0.854  1.0
  H  H11  1  0.736  0.337  0.976  1.0
  H  H12  1  0.947  0.367  0.606  1.0
  H  H13  1  0.264  0.663  0.024  1.0
  H  H14  1  0.947  0.633  0.894  1.0
  H  H15  1  0.053  0.633  0.394  1.0
  O  O16  1  0.842  0.717  0.948  1.0
  O  O17  1  0.389  0.500  0.750  1.0
  O  O18  1  0.278  0.849  0.000  1.0
  O  O19  1  0.722  0.849  0.500  1.0
  O  O20  1  0.722  0.151  1.000  1.0
  O  O21  1  0.842  0.283  0.552  1.0
  O  O22  1  0.611  0.500  0.250  1.0
  O  O23  1  0.158  0.283  0.052  1.0
  O  O24  1  0.278  0.151  0.500  1.0
  O  O25  1  0.158  0.717  0.448  1.0
[/CIF]
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The material described by SrCuH6O5 crystallizes in the monoclinic P2/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), one Cu(1), and one H(1) atom. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Sr(1) and two equivalent H(2) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Sr(1), one Cu(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCuH6O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.297
_cell_length_b   5.467
_cell_length_c   7.977
_cell_angle_alpha   72.206
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.492
_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
  Sr  Sr0  1  0.449  0.000  0.250  1.0
  Sr  Sr1  1  0.551  0.000  0.750  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.053  0.367  0.106  1.0
  H  H5  1  0.706  0.568  0.146  1.0
  H  H6  1  0.706  0.432  0.354  1.0
  H  H7  1  0.736  0.663  0.524  1.0
  H  H8  1  0.294  0.568  0.646  1.0
  H  H9  1  0.264  0.337  0.476  1.0
  H  H10  1  0.294  0.432  0.854  1.0
  H  H11  1  0.736  0.337  0.976  1.0
  H  H12  1  0.947  0.367  0.606  1.0
  H  H13  1  0.264  0.663  0.024  1.0
  H  H14  1  0.947  0.633  0.894  1.0
  H  H15  1  0.053  0.633  0.394  1.0
  O  O16  1  0.842  0.717  0.948  1.0
  O  O17  1  0.389  0.500  0.750  1.0
  O  O18  1  0.278  0.849  0.000  1.0
  O  O19  1  0.722  0.849  0.500  1.0
  O  O20  1  0.722  0.151  1.000  1.0
  O  O21  1  0.842  0.283  0.552  1.0
  O  O22  1  0.611  0.500  0.250  1.0
  O  O23  1  0.158  0.283  0.052  1.0
  O  O24  1  0.278  0.151  0.500  1.0
  O  O25  1  0.158  0.717  0.448  1.0
[/CIF]
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