The material structure described by Sr2CuCO5 crystallizes in the tetragonal I-4 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four 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), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one C(1) atom. is represented by the CIF file [CIF]
data_Sr2CuCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.468
_cell_length_b   9.468
_cell_length_c   9.468
_cell_angle_alpha   130.830
_cell_angle_beta   130.830
_cell_angle_gamma   72.083
_symmetry_Int_Tables_number   1
_cell_volume   475.085
_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
  Sr  Sr0  1  0.886  0.886  0.000  1.0
  Sr  Sr1  1  0.114  0.114  0.000  1.0
  Sr  Sr2  1  0.614  0.614  0.000  1.0
  Sr  Sr3  1  0.386  0.386  0.000  1.0
  Sr  Sr4  1  0.397  0.897  0.500  1.0
  Sr  Sr5  1  0.103  0.603  0.500  1.0
  Sr  Sr6  1  0.620  0.120  0.500  1.0
  Sr  Sr7  1  0.880  0.380  0.500  1.0
  Cu  Cu8  1  0.750  0.750  0.500  1.0
  Cu  Cu9  1  0.250  0.250  0.500  1.0
  Cu  Cu10  1  0.750  0.250  1.000  1.0
  Cu  Cu11  1  0.250  0.750  0.000  1.0
  C  C12  1  0.509  0.515  0.521  1.0
  C  C13  1  0.994  0.987  0.479  1.0
  C  C14  1  0.013  0.491  0.007  1.0
  C  C15  1  0.485  0.006  0.993  1.0
  O  O16  1  0.992  0.740  0.749  1.0
  O  O17  1  0.991  0.242  0.251  1.0
  O  O18  1  0.758  0.008  0.749  1.0
  O  O19  1  0.260  0.009  0.251  1.0
  O  O20  1  0.509  0.259  0.749  1.0
  O  O21  1  0.510  0.760  0.251  1.0
  O  O22  1  0.240  0.491  0.750  1.0
  O  O23  1  0.741  0.490  0.250  1.0
  O  O24  1  0.079  0.656  0.101  1.0
  O  O25  1  0.555  0.979  0.899  1.0
  O  O26  1  0.021  0.921  0.577  1.0
  O  O27  1  0.344  0.445  0.423  1.0
  O  O28  1  0.021  0.336  0.841  1.0
  O  O29  1  0.495  0.180  0.159  1.0
  O  O30  1  0.820  0.979  0.315  1.0
  O  O31  1  0.664  0.505  0.685  1.0
  O  O32  1  0.521  0.596  0.459  1.0
  O  O33  1  0.137  0.062  0.541  1.0
  O  O34  1  0.938  0.479  0.075  1.0
  O  O35  1  0.404  0.863  0.925  1.0
[/CIF]
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The material structure described by Sr2CuCO5 crystallizes in the tetragonal I-4 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four 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), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), two equivalent Sr(4), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), and one C(1) atom. is represented by the CIF file [CIF]
data_Sr2CuCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.468
_cell_length_b   9.468
_cell_length_c   9.468
_cell_angle_alpha   130.830
_cell_angle_beta   130.830
_cell_angle_gamma   72.083
_symmetry_Int_Tables_number   1
_cell_volume   475.085
_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
  Sr  Sr0  1  0.886  0.886  0.000  1.0
  Sr  Sr1  1  0.114  0.114  0.000  1.0
  Sr  Sr2  1  0.614  0.614  0.000  1.0
  Sr  Sr3  1  0.386  0.386  0.000  1.0
  Sr  Sr4  1  0.397  0.897  0.500  1.0
  Sr  Sr5  1  0.103  0.603  0.500  1.0
  Sr  Sr6  1  0.620  0.120  0.500  1.0
  Sr  Sr7  1  0.880  0.380  0.500  1.0
  Cu  Cu8  1  0.750  0.750  0.500  1.0
  Cu  Cu9  1  0.250  0.250  0.500  1.0
  Cu  Cu10  1  0.750  0.250  1.000  1.0
  Cu  Cu11  1  0.250  0.750  0.000  1.0
  C  C12  1  0.509  0.515  0.521  1.0
  C  C13  1  0.994  0.987  0.479  1.0
  C  C14  1  0.013  0.491  0.007  1.0
  C  C15  1  0.485  0.006  0.993  1.0
  O  O16  1  0.992  0.740  0.749  1.0
  O  O17  1  0.991  0.242  0.251  1.0
  O  O18  1  0.758  0.008  0.749  1.0
  O  O19  1  0.260  0.009  0.251  1.0
  O  O20  1  0.509  0.259  0.749  1.0
  O  O21  1  0.510  0.760  0.251  1.0
  O  O22  1  0.240  0.491  0.750  1.0
  O  O23  1  0.741  0.490  0.250  1.0
  O  O24  1  0.079  0.656  0.101  1.0
  O  O25  1  0.555  0.979  0.899  1.0
  O  O26  1  0.021  0.921  0.577  1.0
  O  O27  1  0.344  0.445  0.423  1.0
  O  O28  1  0.021  0.336  0.841  1.0
  O  O29  1  0.495  0.180  0.159  1.0
  O  O30  1  0.820  0.979  0.315  1.0
  O  O31  1  0.664  0.505  0.685  1.0
  O  O32  1  0.521  0.596  0.459  1.0
  O  O33  1  0.137  0.062  0.541  1.0
  O  O34  1  0.938  0.479  0.075  1.0
  O  O35  1  0.404  0.863  0.925  1.0
[/CIF]
.