The compound described by CaSmGa3O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Sm(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form corner-sharing GaO4 tetrahedra. In the second Ga site, Ga(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing GaO4 trigonal pyramids. In the third Ga site, Ga(3) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted corner-sharing GaO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Sm(1), and one Ga(2) atom to form OCaSm2Ga tetrahedra that share  a cornercorner with one O(3)Ca2Ga2 tetrahedra,  a cornercorner with one O(4)Sm2Ga2 tetrahedra, corners with four equivalent O(2)Ca2SmGa tetrahedra,  an edgeedge with one O(1)CaSm2Ga tetrahedra, and  an edgeedge with one O(4)Sm2Ga2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ca(1), one Sm(1), and one Ga(3) atom to form distorted OCa2SmGa tetrahedra that share  a cornercorner with one O(3)Ca2Ga2 tetrahedra,  a cornercorner with one O(4)Sm2Ga2 tetrahedra, corners with four equivalent O(1)CaSm2Ga tetrahedra,  an edgeedge with one O(3)Ca2Ga2 tetrahedra, and  an edgeedge with one O(2)Ca2SmGa tetrahedra. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Ga(3) atoms to form OCa2Ga2 tetrahedra that share corners with two equivalent O(2)Ca2SmGa tetrahedra, corners with two equivalent O(1)CaSm2Ga tetrahedra, and edges with two equivalent O(2)Ca2SmGa tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Ga(2) atoms to form OSm2Ga2 tetrahedra that share corners with two equivalent O(2)Ca2SmGa tetrahedra, corners with two equivalent O(1)CaSm2Ga tetrahedra, and edges with two equivalent O(1)CaSm2Ga tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Sm(1), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Sm(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_CaSmGa3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.937
_cell_length_b   7.937
_cell_length_c   5.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.217
_symmetry_Int_Tables_number   1
_cell_volume   330.848
_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  0.661  0.661  0.486  1.0
  Ca  Ca1  1  0.339  0.339  0.486  1.0
  Sm  Sm2  1  0.837  0.163  0.511  1.0
  Sm  Sm3  1  0.163  0.837  0.511  1.0
  Ga  Ga4  1  0.500  0.000  0.001  1.0
  Ga  Ga5  1  0.000  0.500  0.001  1.0
  Ga  Ga6  1  0.855  0.855  0.035  1.0
  Ga  Ga7  1  0.643  0.357  0.965  1.0
  Ga  Ga8  1  0.145  0.145  0.035  1.0
  Ga  Ga9  1  0.357  0.643  0.965  1.0
  O  O10  1  0.867  0.867  0.689  1.0
  O  O11  1  0.647  0.353  0.309  1.0
  O  O12  1  0.133  0.133  0.689  1.0
  O  O13  1  0.353  0.647  0.309  1.0
  O  O14  1  0.500  0.500  0.797  1.0
  O  O15  1  0.000  0.000  0.210  1.0
  O  O16  1  0.663  0.914  0.216  1.0
  O  O17  1  0.843  0.404  0.784  1.0
  O  O18  1  0.337  0.086  0.216  1.0
  O  O19  1  0.157  0.596  0.784  1.0
  O  O20  1  0.404  0.843  0.784  1.0
  O  O21  1  0.086  0.337  0.216  1.0
  O  O22  1  0.596  0.157  0.784  1.0
  O  O23  1  0.914  0.663  0.216  1.0
[/CIF]
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The compound described by CaSmGa3O7 crystallizes in the orthorhombic Cmm2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Sm(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(5) and two equivalent O(6) atoms to form corner-sharing GaO4 tetrahedra. In the second Ga site, Ga(2) is bonded to one O(1), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing GaO4 trigonal pyramids. In the third Ga site, Ga(3) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted corner-sharing GaO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Sm(1), and one Ga(2) atom to form OCaSm2Ga tetrahedra that share  a cornercorner with one O(3)Ca2Ga2 tetrahedra,  a cornercorner with one O(4)Sm2Ga2 tetrahedra, corners with four equivalent O(2)Ca2SmGa tetrahedra,  an edgeedge with one O(1)CaSm2Ga tetrahedra, and  an edgeedge with one O(4)Sm2Ga2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Ca(1), one Sm(1), and one Ga(3) atom to form distorted OCa2SmGa tetrahedra that share  a cornercorner with one O(3)Ca2Ga2 tetrahedra,  a cornercorner with one O(4)Sm2Ga2 tetrahedra, corners with four equivalent O(1)CaSm2Ga tetrahedra,  an edgeedge with one O(3)Ca2Ga2 tetrahedra, and  an edgeedge with one O(2)Ca2SmGa tetrahedra. In the third O site, O(3) is bonded to two equivalent Ca(1) and two equivalent Ga(3) atoms to form OCa2Ga2 tetrahedra that share corners with two equivalent O(2)Ca2SmGa tetrahedra, corners with two equivalent O(1)CaSm2Ga tetrahedra, and edges with two equivalent O(2)Ca2SmGa tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Ga(2) atoms to form OSm2Ga2 tetrahedra that share corners with two equivalent O(2)Ca2SmGa tetrahedra, corners with two equivalent O(1)CaSm2Ga tetrahedra, and edges with two equivalent O(1)CaSm2Ga tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Sm(1), one Ga(1), and one Ga(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Sm(1), one Ga(1), and one Ga(3) atom. is represented by the CIF card [CIF]
data_CaSmGa3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.937
_cell_length_b   7.937
_cell_length_c   5.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.217
_symmetry_Int_Tables_number   1
_cell_volume   330.848
_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  0.661  0.661  0.486  1.0
  Ca  Ca1  1  0.339  0.339  0.486  1.0
  Sm  Sm2  1  0.837  0.163  0.511  1.0
  Sm  Sm3  1  0.163  0.837  0.511  1.0
  Ga  Ga4  1  0.500  0.000  0.001  1.0
  Ga  Ga5  1  0.000  0.500  0.001  1.0
  Ga  Ga6  1  0.855  0.855  0.035  1.0
  Ga  Ga7  1  0.643  0.357  0.965  1.0
  Ga  Ga8  1  0.145  0.145  0.035  1.0
  Ga  Ga9  1  0.357  0.643  0.965  1.0
  O  O10  1  0.867  0.867  0.689  1.0
  O  O11  1  0.647  0.353  0.309  1.0
  O  O12  1  0.133  0.133  0.689  1.0
  O  O13  1  0.353  0.647  0.309  1.0
  O  O14  1  0.500  0.500  0.797  1.0
  O  O15  1  0.000  0.000  0.210  1.0
  O  O16  1  0.663  0.914  0.216  1.0
  O  O17  1  0.843  0.404  0.784  1.0
  O  O18  1  0.337  0.086  0.216  1.0
  O  O19  1  0.157  0.596  0.784  1.0
  O  O20  1  0.404  0.843  0.784  1.0
  O  O21  1  0.086  0.337  0.216  1.0
  O  O22  1  0.596  0.157  0.784  1.0
  O  O23  1  0.914  0.663  0.216  1.0
[/CIF]
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