The material described by MgEr2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Er sites. In the first Er site, Er(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 Er site, Er(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 distorted see-saw-like geometry to one Mg(1), one Er(1), one Er(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Er(1), one Er(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Er(1), one Er(2), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Er2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.161
_cell_length_c   6.028
_cell_angle_alpha   105.740
_cell_angle_beta   105.788
_cell_angle_gamma   117.935
_symmetry_Int_Tables_number   1
_cell_volume   171.895
_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
  Er  Er0  1  0.154  0.904  0.308  1.0
  Er  Er1  1  0.874  0.124  0.748  1.0
  Mg  Mg2  1  0.866  0.616  0.732  1.0
  Cr  Cr3  1  0.377  0.627  0.754  1.0
  Cr  Cr4  1  0.600  0.350  0.200  1.0
  O  O5  1  0.814  0.723  0.449  1.0
  O  O6  1  0.390  0.816  0.574  1.0
  O  O7  1  0.747  0.801  0.937  1.0
  O  O8  1  0.801  0.384  0.034  1.0
  O  O9  1  0.635  0.226  0.449  1.0
  O  O10  1  0.184  0.258  0.574  1.0
  O  O11  1  0.233  0.150  0.034  1.0
  O  O12  1  0.189  0.636  0.937  1.0
[/CIF]
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The material described by MgEr2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Er sites. In the first Er site, Er(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 Er site, Er(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 distorted see-saw-like geometry to one Mg(1), one Er(1), one Er(2), and one Cr(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Er(1), one Er(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Er(1), one Er(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Er(1), one Er(2), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Er2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.165
_cell_length_b   6.161
_cell_length_c   6.028
_cell_angle_alpha   105.740
_cell_angle_beta   105.788
_cell_angle_gamma   117.935
_symmetry_Int_Tables_number   1
_cell_volume   171.895
_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
  Er  Er0  1  0.154  0.904  0.308  1.0
  Er  Er1  1  0.874  0.124  0.748  1.0
  Mg  Mg2  1  0.866  0.616  0.732  1.0
  Cr  Cr3  1  0.377  0.627  0.754  1.0
  Cr  Cr4  1  0.600  0.350  0.200  1.0
  O  O5  1  0.814  0.723  0.449  1.0
  O  O6  1  0.390  0.816  0.574  1.0
  O  O7  1  0.747  0.801  0.937  1.0
  O  O8  1  0.801  0.384  0.034  1.0
  O  O9  1  0.635  0.226  0.449  1.0
  O  O10  1  0.184  0.258  0.574  1.0
  O  O11  1  0.233  0.150  0.034  1.0
  O  O12  1  0.189  0.636  0.937  1.0
[/CIF]
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