The material described by CaNdGa3O7 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing GaO4 tetrahedra. In the second Ga site, Ga(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing GaO4 tetrahedra. In the third Ga site, Ga(3) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing GaO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Nd(1), one Ga(2), and one Ga(3) atom to form distorted OCaNdGa2 tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra,  an edgeedge with one O(6)Ca2NdGa tetrahedra, and  an edgeedge with one O(7)CaNd2Ga tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Ga(1), and one Ga(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Ga(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(1), one Ga(1), and one Ga(3) atom. In the sixth O site, O(6) is bonded to two equivalent Ca(1), one Nd(1), and one Ga(2) atom to form distorted OCa2NdGa tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra, corners with two equivalent O(1)CaNdGa2 tetrahedra,  an edgeedge with one O(7)CaNd2Ga tetrahedra, and  an edgeedge with one O(1)CaNdGa2 tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), two equivalent Nd(1), and one Ga(3) atom to form distorted OCaNd2Ga tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra, corners with two equivalent O(1)CaNdGa2 tetrahedra,  an edgeedge with one O(6)Ca2NdGa tetrahedra, and  an edgeedge with one O(1)CaNdGa2 tetrahedra. is represented by the CIF card [CIF]
data_CaNdGa3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   5.293
_cell_length_c   7.995
_cell_angle_alpha   89.723
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.428
_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
  Ca  Ca0  1  0.337  0.486  0.920  1.0
  Ca  Ca1  1  0.837  0.514  0.080  1.0
  Nd  Nd2  1  0.659  0.486  0.595  1.0
  Nd  Nd3  1  0.159  0.514  0.405  1.0
  Ga  Ga4  1  0.499  0.000  0.251  1.0
  Ga  Ga5  1  0.999  1.000  0.749  1.0
  Ga  Ga6  1  0.144  0.037  0.105  1.0
  Ga  Ga7  1  0.644  0.963  0.895  1.0
  Ga  Ga8  1  0.856  0.035  0.393  1.0
  Ga  Ga9  1  0.356  0.965  0.607  1.0
  O  O10  1  0.495  0.795  0.753  1.0
  O  O11  1  0.995  0.205  0.247  1.0
  O  O12  1  0.412  0.782  0.412  1.0
  O  O13  1  0.912  0.218  0.588  1.0
  O  O14  1  0.597  0.794  0.094  1.0
  O  O15  1  0.097  0.206  0.906  1.0
  O  O16  1  0.337  0.218  0.168  1.0
  O  O17  1  0.837  0.782  0.832  1.0
  O  O18  1  0.656  0.207  0.353  1.0
  O  O19  1  0.156  0.793  0.647  1.0
  O  O20  1  0.142  0.694  0.121  1.0
  O  O21  1  0.642  0.306  0.879  1.0
  O  O22  1  0.864  0.691  0.400  1.0
  O  O23  1  0.364  0.309  0.600  1.0
[/CIF]
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The material described by CaNdGa3O7 crystallizes in the monoclinic P2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing GaO4 tetrahedra. In the second Ga site, Ga(2) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing GaO4 tetrahedra. In the third Ga site, Ga(3) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form distorted corner-sharing GaO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Nd(1), one Ga(2), and one Ga(3) atom to form distorted OCaNdGa2 tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra,  an edgeedge with one O(6)Ca2NdGa tetrahedra, and  an edgeedge with one O(7)CaNd2Ga tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Ga(1), and one Ga(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1), one Ga(1), and one Ga(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), one Ga(1), and one Ga(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Nd(1), one Ga(1), and one Ga(3) atom. In the sixth O site, O(6) is bonded to two equivalent Ca(1), one Nd(1), and one Ga(2) atom to form distorted OCa2NdGa tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra, corners with two equivalent O(1)CaNdGa2 tetrahedra,  an edgeedge with one O(7)CaNd2Ga tetrahedra, and  an edgeedge with one O(1)CaNdGa2 tetrahedra. In the seventh O site, O(7) is bonded to one Ca(1), two equivalent Nd(1), and one Ga(3) atom to form distorted OCaNd2Ga tetrahedra that share corners with two equivalent O(6)Ca2NdGa tetrahedra, corners with two equivalent O(7)CaNd2Ga tetrahedra, corners with two equivalent O(1)CaNdGa2 tetrahedra,  an edgeedge with one O(6)Ca2NdGa tetrahedra, and  an edgeedge with one O(1)CaNdGa2 tetrahedra. is represented by the CIF card [CIF]
data_CaNdGa3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.975
_cell_length_b   5.293
_cell_length_c   7.995
_cell_angle_alpha   89.723
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   337.428
_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
  Ca  Ca0  1  0.337  0.486  0.920  1.0
  Ca  Ca1  1  0.837  0.514  0.080  1.0
  Nd  Nd2  1  0.659  0.486  0.595  1.0
  Nd  Nd3  1  0.159  0.514  0.405  1.0
  Ga  Ga4  1  0.499  0.000  0.251  1.0
  Ga  Ga5  1  0.999  1.000  0.749  1.0
  Ga  Ga6  1  0.144  0.037  0.105  1.0
  Ga  Ga7  1  0.644  0.963  0.895  1.0
  Ga  Ga8  1  0.856  0.035  0.393  1.0
  Ga  Ga9  1  0.356  0.965  0.607  1.0
  O  O10  1  0.495  0.795  0.753  1.0
  O  O11  1  0.995  0.205  0.247  1.0
  O  O12  1  0.412  0.782  0.412  1.0
  O  O13  1  0.912  0.218  0.588  1.0
  O  O14  1  0.597  0.794  0.094  1.0
  O  O15  1  0.097  0.206  0.906  1.0
  O  O16  1  0.337  0.218  0.168  1.0
  O  O17  1  0.837  0.782  0.832  1.0
  O  O18  1  0.656  0.207  0.353  1.0
  O  O19  1  0.156  0.793  0.647  1.0
  O  O20  1  0.142  0.694  0.121  1.0
  O  O21  1  0.642  0.306  0.879  1.0
  O  O22  1  0.864  0.691  0.400  1.0
  O  O23  1  0.364  0.309  0.600  1.0
[/CIF]
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