The compound described by Mg2Cu2CO11 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cu(1), and one O(5) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one O(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one C(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cu(1), and one O(3) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cu2CO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.687
_cell_length_b   7.687
_cell_length_c   7.151
_cell_angle_alpha   87.031
_cell_angle_beta   87.031
_cell_angle_gamma   91.660
_symmetry_Int_Tables_number   1
_cell_volume   421.240
_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
  Mg  Mg0  1  0.180  0.483  0.292  1.0
  Mg  Mg1  1  0.517  0.820  0.208  1.0
  Mg  Mg2  1  0.820  0.517  0.708  1.0
  Mg  Mg3  1  0.483  0.180  0.792  1.0
  Cu  Cu4  1  0.101  0.788  0.539  1.0
  Cu  Cu5  1  0.212  0.899  0.961  1.0
  Cu  Cu6  1  0.899  0.212  0.461  1.0
  Cu  Cu7  1  0.788  0.101  0.039  1.0
  C  C8  1  0.568  0.432  0.250  1.0
  C  C9  1  0.432  0.568  0.750  1.0
  O  O10  1  0.404  0.384  0.268  1.0
  O  O11  1  0.616  0.596  0.232  1.0
  O  O12  1  0.596  0.616  0.732  1.0
  O  O13  1  0.384  0.404  0.768  1.0
  O  O14  1  0.685  0.315  0.250  1.0
  O  O15  1  0.315  0.685  0.750  1.0
  O  O16  1  0.223  0.722  0.158  1.0
  O  O17  1  0.278  0.777  0.342  1.0
  O  O18  1  0.777  0.278  0.842  1.0
  O  O19  1  0.722  0.223  0.658  1.0
  O  O20  1  0.846  0.977  0.408  1.0
  O  O21  1  0.023  0.154  0.092  1.0
  O  O22  1  0.154  0.023  0.592  1.0
  O  O23  1  0.977  0.846  0.908  1.0
  O  O24  1  0.972  0.584  0.451  1.0
  O  O25  1  0.416  0.028  0.049  1.0
  O  O26  1  0.028  0.416  0.549  1.0
  O  O27  1  0.584  0.972  0.951  1.0
  O  O28  1  0.037  0.262  0.234  1.0
  O  O29  1  0.738  0.963  0.266  1.0
  O  O30  1  0.963  0.738  0.766  1.0
  O  O31  1  0.262  0.037  0.734  1.0
[/CIF]
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The compound described by Mg2Cu2CO11 crystallizes in the monoclinic C2/c space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms. Cu(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cu(1), and one O(5) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Cu(1), and one O(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one C(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Cu(1), and one O(3) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one O(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cu2CO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.687
_cell_length_b   7.687
_cell_length_c   7.151
_cell_angle_alpha   87.031
_cell_angle_beta   87.031
_cell_angle_gamma   91.660
_symmetry_Int_Tables_number   1
_cell_volume   421.240
_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
  Mg  Mg0  1  0.180  0.483  0.292  1.0
  Mg  Mg1  1  0.517  0.820  0.208  1.0
  Mg  Mg2  1  0.820  0.517  0.708  1.0
  Mg  Mg3  1  0.483  0.180  0.792  1.0
  Cu  Cu4  1  0.101  0.788  0.539  1.0
  Cu  Cu5  1  0.212  0.899  0.961  1.0
  Cu  Cu6  1  0.899  0.212  0.461  1.0
  Cu  Cu7  1  0.788  0.101  0.039  1.0
  C  C8  1  0.568  0.432  0.250  1.0
  C  C9  1  0.432  0.568  0.750  1.0
  O  O10  1  0.404  0.384  0.268  1.0
  O  O11  1  0.616  0.596  0.232  1.0
  O  O12  1  0.596  0.616  0.732  1.0
  O  O13  1  0.384  0.404  0.768  1.0
  O  O14  1  0.685  0.315  0.250  1.0
  O  O15  1  0.315  0.685  0.750  1.0
  O  O16  1  0.223  0.722  0.158  1.0
  O  O17  1  0.278  0.777  0.342  1.0
  O  O18  1  0.777  0.278  0.842  1.0
  O  O19  1  0.722  0.223  0.658  1.0
  O  O20  1  0.846  0.977  0.408  1.0
  O  O21  1  0.023  0.154  0.092  1.0
  O  O22  1  0.154  0.023  0.592  1.0
  O  O23  1  0.977  0.846  0.908  1.0
  O  O24  1  0.972  0.584  0.451  1.0
  O  O25  1  0.416  0.028  0.049  1.0
  O  O26  1  0.028  0.416  0.549  1.0
  O  O27  1  0.584  0.972  0.951  1.0
  O  O28  1  0.037  0.262  0.234  1.0
  O  O29  1  0.738  0.963  0.266  1.0
  O  O30  1  0.963  0.738  0.766  1.0
  O  O31  1  0.262  0.037  0.734  1.0
[/CIF]
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