The material structure described by MgLu2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.119
_cell_length_c   5.969
_cell_angle_alpha   105.914
_cell_angle_beta   105.771
_cell_angle_gamma   117.790
_symmetry_Int_Tables_number   1
_cell_volume   167.209
_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
  Lu  Lu0  1  0.377  0.627  0.754  1.0
  Lu  Lu1  1  0.595  0.345  0.189  1.0
  Mg  Mg2  1  0.883  0.633  0.765  1.0
  Cr  Cr3  1  0.873  0.123  0.746  1.0
  Cr  Cr4  1  0.151  0.902  0.303  1.0
  O  O5  1  0.353  0.271  0.469  1.0
  O  O6  1  0.865  0.309  0.559  1.0
  O  O7  1  0.246  0.318  0.928  1.0
  O  O8  1  0.277  0.867  0.051  1.0
  O  O9  1  0.116  0.698  0.469  1.0
  O  O10  1  0.694  0.750  0.559  1.0
  O  O11  1  0.682  0.110  0.927  1.0
  O  O12  1  0.775  0.684  0.051  1.0
[/CIF]
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The material structure described by MgLu2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Cr site, Cr(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Lu(1), one Lu(2), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.096
_cell_length_b   6.119
_cell_length_c   5.969
_cell_angle_alpha   105.914
_cell_angle_beta   105.771
_cell_angle_gamma   117.790
_symmetry_Int_Tables_number   1
_cell_volume   167.209
_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
  Lu  Lu0  1  0.377  0.627  0.754  1.0
  Lu  Lu1  1  0.595  0.345  0.189  1.0
  Mg  Mg2  1  0.883  0.633  0.765  1.0
  Cr  Cr3  1  0.873  0.123  0.746  1.0
  Cr  Cr4  1  0.151  0.902  0.303  1.0
  O  O5  1  0.353  0.271  0.469  1.0
  O  O6  1  0.865  0.309  0.559  1.0
  O  O7  1  0.246  0.318  0.928  1.0
  O  O8  1  0.277  0.867  0.051  1.0
  O  O9  1  0.116  0.698  0.469  1.0
  O  O10  1  0.694  0.750  0.559  1.0
  O  O11  1  0.682  0.110  0.927  1.0
  O  O12  1  0.775  0.684  0.051  1.0
[/CIF]
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