The material structure described by GaSr2NdCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Ga(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Ga(1) atom. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, and corners with two equivalent O(1)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-70°. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr2Ga2 tetrahedra, edges with three equivalent O(3)Sr2Nd2Cu2 octahedra, faces with two equivalent O(2)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr2Ga2 tetrahedra, edges with three equivalent O(2)Sr2Nd2Cu2 octahedra, faces with two equivalent O(2)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF card [CIF]
data_Sr2NdGaCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.282
_cell_length_b   12.282
_cell_length_c   12.282
_cell_angle_alpha   154.271
_cell_angle_beta   153.697
_cell_angle_gamma   37.125
_symmetry_Int_Tables_number   1
_cell_volume   355.931
_cell_formula_units_Z   2
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  0.634  0.653  0.981  1.0
  Sr  Sr1  1  0.366  0.348  0.019  1.0
  Sr  Sr2  1  0.172  0.153  0.019  1.0
  Sr  Sr3  1  0.828  0.848  0.981  1.0
  Nd  Nd4  1  0.500  0.499  0.999  1.0
  Nd  Nd5  1  0.000  0.999  0.999  1.0
  Ga  Ga6  1  0.821  0.283  0.603  1.0
  Ga  Ga7  1  0.179  0.783  0.462  1.0
  Cu  Cu8  1  0.577  0.074  0.500  1.0
  Cu  Cu9  1  0.423  0.923  0.497  1.0
  Cu  Cu10  1  0.074  0.574  0.497  1.0
  Cu  Cu11  1  0.926  0.423  0.500  1.0
  O  O12  1  0.130  0.131  0.761  1.0
  O  O13  1  0.870  0.631  0.001  1.0
  O  O14  1  0.818  0.816  0.499  1.0
  O  O15  1  0.182  0.681  0.998  1.0
  O  O16  1  0.817  0.316  0.998  1.0
  O  O17  1  0.183  0.181  0.499  1.0
  O  O18  1  0.317  0.315  0.501  1.0
  O  O19  1  0.683  0.184  0.998  1.0
  O  O20  1  0.314  0.815  0.998  1.0
  O  O21  1  0.686  0.684  0.501  1.0
  O  O22  1  0.224  0.644  0.513  1.0
  O  O23  1  0.776  0.289  0.419  1.0
  O  O24  1  0.631  0.144  0.419  1.0
  O  O25  1  0.369  0.789  0.513  1.0
[/CIF]
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The material structure described by GaSr2NdCu2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. Nd(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Cu(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Ga(1)O4 tetrahedra. Ga(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form GaO4 tetrahedra that share corners with two equivalent Cu(1)O5 square pyramids and corners with two equivalent Ga(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Ga(1) atom. In the second O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Ga(1) atoms to form distorted OSr2Ga2 tetrahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, and corners with two equivalent O(1)Sr2Ga2 tetrahedra. The corner-sharing octahedral tilt angles range from 19-70°. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr2Ga2 tetrahedra, edges with three equivalent O(3)Sr2Nd2Cu2 octahedra, faces with two equivalent O(2)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the fourth O site, O(3) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with four equivalent O(2)Sr2Nd2Cu2 octahedra, corners with four equivalent O(3)Sr2Nd2Cu2 octahedra, corners with two equivalent O(1)Sr2Ga2 tetrahedra, edges with three equivalent O(2)Sr2Nd2Cu2 octahedra, faces with two equivalent O(2)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(3)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-68°. is represented by the CIF card [CIF]
data_Sr2NdGaCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.282
_cell_length_b   12.282
_cell_length_c   12.282
_cell_angle_alpha   154.271
_cell_angle_beta   153.697
_cell_angle_gamma   37.125
_symmetry_Int_Tables_number   1
_cell_volume   355.931
_cell_formula_units_Z   2
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  0.634  0.653  0.981  1.0
  Sr  Sr1  1  0.366  0.348  0.019  1.0
  Sr  Sr2  1  0.172  0.153  0.019  1.0
  Sr  Sr3  1  0.828  0.848  0.981  1.0
  Nd  Nd4  1  0.500  0.499  0.999  1.0
  Nd  Nd5  1  0.000  0.999  0.999  1.0
  Ga  Ga6  1  0.821  0.283  0.603  1.0
  Ga  Ga7  1  0.179  0.783  0.462  1.0
  Cu  Cu8  1  0.577  0.074  0.500  1.0
  Cu  Cu9  1  0.423  0.923  0.497  1.0
  Cu  Cu10  1  0.074  0.574  0.497  1.0
  Cu  Cu11  1  0.926  0.423  0.500  1.0
  O  O12  1  0.130  0.131  0.761  1.0
  O  O13  1  0.870  0.631  0.001  1.0
  O  O14  1  0.818  0.816  0.499  1.0
  O  O15  1  0.182  0.681  0.998  1.0
  O  O16  1  0.817  0.316  0.998  1.0
  O  O17  1  0.183  0.181  0.499  1.0
  O  O18  1  0.317  0.315  0.501  1.0
  O  O19  1  0.683  0.184  0.998  1.0
  O  O20  1  0.314  0.815  0.998  1.0
  O  O21  1  0.686  0.684  0.501  1.0
  O  O22  1  0.224  0.644  0.513  1.0
  O  O23  1  0.776  0.289  0.419  1.0
  O  O24  1  0.631  0.144  0.419  1.0
  O  O25  1  0.369  0.789  0.513  1.0
[/CIF]
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