The crystal structure described by Sr2MgZrCrO6 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with three equivalent Zr(1)O5 trigonal bipyramids. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZrO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted CrO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Zr(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal pyramidal geometry to one Sr(1), one Sr(2), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Zr(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   6.405
_cell_length_c   5.855
_cell_angle_alpha   91.749
_cell_angle_beta   117.125
_cell_angle_gamma   115.482
_symmetry_Int_Tables_number   1
_cell_volume   167.290
_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  0.450  0.266  0.760  1.0
  Sr  Sr1  1  0.635  0.884  0.390  1.0
  Mg  Mg2  1  0.148  0.356  0.101  1.0
  Zr  Zr3  1  0.014  0.559  0.525  1.0
  Cr  Cr4  1  0.916  0.833  1.000  1.0
  O  O5  1  0.999  0.112  0.266  1.0
  O  O6  1  0.072  0.849  0.736  1.0
  O  O7  1  0.567  0.451  0.230  1.0
  O  O8  1  0.472  0.671  0.719  1.0
  O  O9  1  0.088  0.624  0.199  1.0
  O  O10  1  0.899  0.288  0.705  1.0
[/CIF]
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The crystal structure described by Sr2MgZrCrO6 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with three equivalent Zr(1)O5 trigonal bipyramids. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZrO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Cr(1)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted CrO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Zr(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal pyramidal geometry to one Sr(1), one Sr(2), one Zr(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Zr(1), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.788
_cell_length_b   6.405
_cell_length_c   5.855
_cell_angle_alpha   91.749
_cell_angle_beta   117.125
_cell_angle_gamma   115.482
_symmetry_Int_Tables_number   1
_cell_volume   167.290
_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  0.450  0.266  0.760  1.0
  Sr  Sr1  1  0.635  0.884  0.390  1.0
  Mg  Mg2  1  0.148  0.356  0.101  1.0
  Zr  Zr3  1  0.014  0.559  0.525  1.0
  Cr  Cr4  1  0.916  0.833  1.000  1.0
  O  O5  1  0.999  0.112  0.266  1.0
  O  O6  1  0.072  0.849  0.736  1.0
  O  O7  1  0.567  0.451  0.230  1.0
  O  O8  1  0.472  0.671  0.719  1.0
  O  O9  1  0.088  0.624  0.199  1.0
  O  O10  1  0.899  0.288  0.705  1.0
[/CIF]
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