The structure described by Ca2Gd2MnNiO8 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Ni(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Gd(1), one Gd(2), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Gd(1), one Gd(2), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), two equivalent Gd(2), and one Ni(1) atom to form distorted corner-sharing OCa2Gd2Ni square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(2), one Gd(1), one Gd(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), two equivalent Gd(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Gd(1), one Gd(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Gd2MnNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.592
_cell_length_c   6.439
_cell_angle_alpha   90.442
_cell_angle_beta   65.565
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.650
_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
  Ca  Ca0  1  0.355  0.014  0.290  1.0
  Ca  Ca1  1  0.145  0.526  0.710  1.0
  Gd  Gd2  1  0.862  0.473  0.276  1.0
  Gd  Gd3  1  0.639  0.982  0.722  1.0
  Mn  Mn4  1  0.499  0.498  0.002  1.0
  Ni  Ni5  1  0.000  0.997  0.999  1.0
  O  O6  1  0.768  0.258  0.956  1.0
  O  O7  1  0.725  0.738  0.044  1.0
  O  O8  1  0.231  0.738  0.044  1.0
  O  O9  1  0.275  0.258  0.956  1.0
  O  O10  1  0.172  0.935  0.655  1.0
  O  O11  1  0.672  0.568  0.655  1.0
  O  O12  1  0.336  0.439  0.327  1.0
  O  O13  1  0.820  0.075  0.361  1.0
[/CIF]
.
The structure described by Ca2Gd2MnNiO8 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. Ni(1) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Gd(1), one Gd(2), one Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Gd(1), one Gd(2), one Mn(1), and one Ni(1) atom. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), two equivalent Gd(2), and one Ni(1) atom to form distorted corner-sharing OCa2Gd2Ni square pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(2), one Gd(1), one Gd(2), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), two equivalent Gd(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Gd(1), one Gd(2), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Gd2MnNiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   5.592
_cell_length_c   6.439
_cell_angle_alpha   90.442
_cell_angle_beta   65.565
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   174.650
_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
  Ca  Ca0  1  0.355  0.014  0.290  1.0
  Ca  Ca1  1  0.145  0.526  0.710  1.0
  Gd  Gd2  1  0.862  0.473  0.276  1.0
  Gd  Gd3  1  0.639  0.982  0.722  1.0
  Mn  Mn4  1  0.499  0.498  0.002  1.0
  Ni  Ni5  1  0.000  0.997  0.999  1.0
  O  O6  1  0.768  0.258  0.956  1.0
  O  O7  1  0.725  0.738  0.044  1.0
  O  O8  1  0.231  0.738  0.044  1.0
  O  O9  1  0.275  0.258  0.956  1.0
  O  O10  1  0.172  0.935  0.655  1.0
  O  O11  1  0.672  0.568  0.655  1.0
  O  O12  1  0.336  0.439  0.327  1.0
  O  O13  1  0.820  0.075  0.361  1.0
[/CIF]
.