The compound described by Sr2MgZrCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) 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. 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(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Zr(1)O6 octahedra. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. Cr(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr2MgZrCr trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), 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 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr2MgZrCr trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgZrCr trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   5.673
_cell_length_c   5.446
_cell_angle_alpha   90.223
_cell_angle_beta   118.448
_cell_angle_gamma   114.571
_symmetry_Int_Tables_number   1
_cell_volume   163.771
_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  0.454  0.205  0.776  1.0
  Sr  Sr1  1  0.600  0.777  0.295  1.0
  Mg  Mg2  1  0.033  0.520  0.045  1.0
  Zr  Zr3  1  0.021  0.506  0.535  1.0
  Cr  Cr4  1  0.022  0.005  0.033  1.0
  O  O5  1  0.872  0.184  0.174  1.0
  O  O6  1  0.184  0.835  0.900  1.0
  O  O7  1  0.704  0.386  0.555  1.0
  O  O8  1  0.332  0.697  0.496  1.0
  O  O9  1  0.860  0.672  0.164  1.0
  O  O10  1  0.167  0.332  0.885  1.0
[/CIF]
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The compound described by Sr2MgZrCrO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) 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. 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(2), one O(3), one O(4), one O(5), and one O(6) atom to form MgO6 octahedra that share faces with two equivalent Zr(1)O6 octahedra. Zr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ZrO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. Cr(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr2MgZrCr trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), 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 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Zr(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr2MgZrCr trigonal bipyramids. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Mg(1), one Zr(1), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgZrCr trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgZrCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.851
_cell_length_b   5.673
_cell_length_c   5.446
_cell_angle_alpha   90.223
_cell_angle_beta   118.448
_cell_angle_gamma   114.571
_symmetry_Int_Tables_number   1
_cell_volume   163.771
_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  0.454  0.205  0.776  1.0
  Sr  Sr1  1  0.600  0.777  0.295  1.0
  Mg  Mg2  1  0.033  0.520  0.045  1.0
  Zr  Zr3  1  0.021  0.506  0.535  1.0
  Cr  Cr4  1  0.022  0.005  0.033  1.0
  O  O5  1  0.872  0.184  0.174  1.0
  O  O6  1  0.184  0.835  0.900  1.0
  O  O7  1  0.704  0.386  0.555  1.0
  O  O8  1  0.332  0.697  0.496  1.0
  O  O9  1  0.860  0.672  0.164  1.0
  O  O10  1  0.167  0.332  0.885  1.0
[/CIF]
.