The compound described by Sr2CuCO5 crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a single-bond geometry to four equivalent Sr(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CuCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.705
_cell_length_b   4.351
_cell_length_c   7.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.252
_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
  Sr  Sr0  1  0.500  0.504  0.774  1.0
  Sr  Sr1  1  0.500  0.504  0.226  1.0
  Cu  Cu2  1  0.000  0.999  0.000  1.0
  C  C3  1  0.000  0.985  0.500  1.0
  O  O4  1  0.500  0.001  0.000  1.0
  O  O5  1  0.000  0.507  0.000  1.0
  O  O6  1  0.000  0.687  0.500  1.0
  O  O7  1  0.000  0.128  0.350  1.0
  O  O8  1  0.000  0.128  0.650  1.0
[/CIF]
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The compound described by Sr2CuCO5 crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form a mixture of edge and corner-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a single-bond geometry to four equivalent Sr(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CuCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.705
_cell_length_b   4.351
_cell_length_c   7.583
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.252
_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
  Sr  Sr0  1  0.500  0.504  0.774  1.0
  Sr  Sr1  1  0.500  0.504  0.226  1.0
  Cu  Cu2  1  0.000  0.999  0.000  1.0
  C  C3  1  0.000  0.985  0.500  1.0
  O  O4  1  0.500  0.001  0.000  1.0
  O  O5  1  0.000  0.507  0.000  1.0
  O  O6  1  0.000  0.687  0.500  1.0
  O  O7  1  0.000  0.128  0.350  1.0
  O  O8  1  0.000  0.128  0.650  1.0
[/CIF]
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