The material structure described by MgNd2Cr2O8 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(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 Nd(1), one Nd(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. is represented by the CIF card [CIF]
data_Nd2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.197
_cell_length_c   6.336
_cell_angle_alpha   105.495
_cell_angle_beta   107.490
_cell_angle_gamma   117.377
_symmetry_Int_Tables_number   1
_cell_volume   185.462
_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
  Nd  Nd0  1  0.108  0.859  0.208  1.0
  Nd  Nd1  1  0.853  0.135  0.748  1.0
  Mg  Mg2  1  0.284  0.020  0.770  1.0
  Cr  Cr3  1  0.379  0.606  0.744  1.0
  Cr  Cr4  1  0.643  0.397  0.282  1.0
  O  O5  1  0.860  0.761  0.486  1.0
  O  O6  1  0.356  0.788  0.558  1.0
  O  O7  1  0.737  0.825  0.934  1.0
  O  O8  1  0.729  0.345  0.029  1.0
  O  O9  1  0.611  0.178  0.418  1.0
  O  O10  1  0.222  0.242  0.592  1.0
  O  O11  1  0.184  0.645  0.891  1.0
  O  O12  1  0.272  0.210  0.070  1.0
[/CIF]
.
The material structure described by MgNd2Cr2O8 is Esseneite-like structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(6), and one O(7) atom. In the second Cr site, Cr(2) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(5), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(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 Nd(1), one Nd(2), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Nd(1), one Nd(2), and one Cr(1) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Nd(1), one Nd(2), and one Cr(2) atom to form distorted corner-sharing ONd2MgCr trigonal pyramids. is represented by the CIF card [CIF]
data_Nd2MgCr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.352
_cell_length_b   6.197
_cell_length_c   6.336
_cell_angle_alpha   105.495
_cell_angle_beta   107.490
_cell_angle_gamma   117.377
_symmetry_Int_Tables_number   1
_cell_volume   185.462
_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
  Nd  Nd0  1  0.108  0.859  0.208  1.0
  Nd  Nd1  1  0.853  0.135  0.748  1.0
  Mg  Mg2  1  0.284  0.020  0.770  1.0
  Cr  Cr3  1  0.379  0.606  0.744  1.0
  Cr  Cr4  1  0.643  0.397  0.282  1.0
  O  O5  1  0.860  0.761  0.486  1.0
  O  O6  1  0.356  0.788  0.558  1.0
  O  O7  1  0.737  0.825  0.934  1.0
  O  O8  1  0.729  0.345  0.029  1.0
  O  O9  1  0.611  0.178  0.418  1.0
  O  O10  1  0.222  0.242  0.592  1.0
  O  O11  1  0.184  0.645  0.891  1.0
  O  O12  1  0.272  0.210  0.070  1.0
[/CIF]
.