The compound described by Sr2MgCuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent Sr(1) and four equivalent C(1) atoms to form MgSr2C4 octahedra that share corners with four equivalent Mg(1)Sr2C4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, and edges with four equivalent Mg(1)Sr2C4 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent N(1) atoms. N(1) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent Mg(1)Sr2C4 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. is represented by the CIF file [CIF]
data_Sr2MgCuC(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   3.981
_cell_length_c   9.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.684
_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  0.500  0.669  1.0
  Sr  Sr1  1  0.500  0.500  0.331  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.000  0.000  0.868  1.0
  N  N6  1  0.000  0.000  0.132  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by Sr2MgCuC(NO)2 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent O(1) atoms. Mg(1) is bonded to two equivalent Sr(1) and four equivalent C(1) atoms to form MgSr2C4 octahedra that share corners with four equivalent Mg(1)Sr2C4 octahedra, corners with eight equivalent O(1)Sr4Cu2 octahedra, and edges with four equivalent Mg(1)Sr2C4 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. C(1) is bonded in a linear geometry to four equivalent Mg(1) and two equivalent N(1) atoms. N(1) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent Mg(1)Sr2C4 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. is represented by the CIF file [CIF]
data_Sr2MgCuC(NO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.981
_cell_length_b   3.981
_cell_length_c   9.506
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   150.684
_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  0.500  0.669  1.0
  Sr  Sr1  1  0.500  0.500  0.331  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  N  N5  1  0.000  0.000  0.868  1.0
  N  N6  1  0.000  0.000  0.132  1.0
  O  O7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.500  0.000  0.500  1.0
[/CIF]
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