The compound described by Ca2FeGaO5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OCa2Ga2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Fe(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Ca2GaFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.687
_cell_length_c   14.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.388
_cell_formula_units_Z   4
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  0.979  0.028  0.108  1.0
  Ca  Ca1  1  0.521  0.528  0.608  1.0
  Ca  Ca2  1  0.521  0.528  0.892  1.0
  Ca  Ca3  1  0.479  0.472  0.108  1.0
  Ca  Ca4  1  0.479  0.472  0.392  1.0
  Ca  Ca5  1  0.021  0.972  0.608  1.0
  Ca  Ca6  1  0.021  0.972  0.892  1.0
  Ca  Ca7  1  0.979  0.028  0.392  1.0
  Ga  Ga8  1  0.452  0.929  0.250  1.0
  Ga  Ga9  1  0.048  0.429  0.750  1.0
  Ga  Ga10  1  0.952  0.571  0.250  1.0
  Ga  Ga11  1  0.548  0.071  0.750  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.000  0.500  1.0
  Fe  Fe14  1  0.000  0.500  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.395  0.373  0.750  1.0
  O  O17  1  0.263  0.264  0.515  1.0
  O  O18  1  0.237  0.764  0.015  1.0
  O  O19  1  0.533  0.075  0.143  1.0
  O  O20  1  0.737  0.736  0.015  1.0
  O  O21  1  0.763  0.236  0.985  1.0
  O  O22  1  0.763  0.236  0.515  1.0
  O  O23  1  0.967  0.575  0.857  1.0
  O  O24  1  0.895  0.127  0.750  1.0
  O  O25  1  0.105  0.873  0.250  1.0
  O  O26  1  0.737  0.736  0.485  1.0
  O  O27  1  0.467  0.925  0.857  1.0
  O  O28  1  0.533  0.075  0.357  1.0
  O  O29  1  0.605  0.627  0.250  1.0
  O  O30  1  0.237  0.764  0.485  1.0
  O  O31  1  0.967  0.575  0.643  1.0
  O  O32  1  0.033  0.425  0.143  1.0
  O  O33  1  0.263  0.264  0.985  1.0
  O  O34  1  0.467  0.925  0.643  1.0
  O  O35  1  0.033  0.425  0.357  1.0
[/CIF]
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The compound described by Ca2FeGaO5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. Ga(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form GaO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ga(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ga(1) atoms to form distorted corner-sharing OCa2Ga2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Fe(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Ca2GaFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   5.687
_cell_length_c   14.736
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.388
_cell_formula_units_Z   4
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  0.979  0.028  0.108  1.0
  Ca  Ca1  1  0.521  0.528  0.608  1.0
  Ca  Ca2  1  0.521  0.528  0.892  1.0
  Ca  Ca3  1  0.479  0.472  0.108  1.0
  Ca  Ca4  1  0.479  0.472  0.392  1.0
  Ca  Ca5  1  0.021  0.972  0.608  1.0
  Ca  Ca6  1  0.021  0.972  0.892  1.0
  Ca  Ca7  1  0.979  0.028  0.392  1.0
  Ga  Ga8  1  0.452  0.929  0.250  1.0
  Ga  Ga9  1  0.048  0.429  0.750  1.0
  Ga  Ga10  1  0.952  0.571  0.250  1.0
  Ga  Ga11  1  0.548  0.071  0.750  1.0
  Fe  Fe12  1  0.500  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.000  0.500  1.0
  Fe  Fe14  1  0.000  0.500  0.500  1.0
  Fe  Fe15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.395  0.373  0.750  1.0
  O  O17  1  0.263  0.264  0.515  1.0
  O  O18  1  0.237  0.764  0.015  1.0
  O  O19  1  0.533  0.075  0.143  1.0
  O  O20  1  0.737  0.736  0.015  1.0
  O  O21  1  0.763  0.236  0.985  1.0
  O  O22  1  0.763  0.236  0.515  1.0
  O  O23  1  0.967  0.575  0.857  1.0
  O  O24  1  0.895  0.127  0.750  1.0
  O  O25  1  0.105  0.873  0.250  1.0
  O  O26  1  0.737  0.736  0.485  1.0
  O  O27  1  0.467  0.925  0.857  1.0
  O  O28  1  0.533  0.075  0.357  1.0
  O  O29  1  0.605  0.627  0.250  1.0
  O  O30  1  0.237  0.764  0.485  1.0
  O  O31  1  0.967  0.575  0.643  1.0
  O  O32  1  0.033  0.425  0.143  1.0
  O  O33  1  0.263  0.264  0.985  1.0
  O  O34  1  0.467  0.925  0.643  1.0
  O  O35  1  0.033  0.425  0.357  1.0
[/CIF]
.