The material described by (Fe4As3O14)2(O2)7 crystallizes in the orthorhombic Cmm2 space group. The structure consists of four hydrogen peroxide molecules and two trioxidane molecules inside a Fe4As3O14 framework. In the Fe4As3O14 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share  a cornercorner with one As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra. In the second As site, As(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form AsO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(2) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one As(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Fe4(AsO7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.343
_cell_length_c   7.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.155
_symmetry_Int_Tables_number   1
_cell_volume   547.240
_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
  Fe  Fe0  1  0.865  0.135  0.839  1.0
  Fe  Fe1  1  0.810  0.810  0.133  1.0
  Fe  Fe2  1  0.190  0.190  0.133  1.0
  Fe  Fe3  1  0.135  0.865  0.839  1.0
  As  As4  1  0.000  0.000  0.474  1.0
  As  As5  1  0.000  0.500  0.984  1.0
  As  As6  1  0.500  0.000  0.984  1.0
  O  O7  1  0.194  0.806  0.196  1.0
  O  O8  1  0.091  0.091  0.939  1.0
  O  O9  1  0.909  0.909  0.939  1.0
  O  O10  1  0.806  0.194  0.196  1.0
  O  O11  1  0.636  0.106  0.862  1.0
  O  O12  1  0.884  0.116  0.599  1.0
  O  O13  1  0.894  0.364  0.862  1.0
  O  O14  1  0.594  0.865  0.113  1.0
  O  O15  1  0.878  0.878  0.350  1.0
  O  O16  1  0.865  0.594  0.113  1.0
  O  O17  1  0.406  0.135  0.113  1.0
  O  O18  1  0.122  0.122  0.350  1.0
  O  O19  1  0.135  0.406  0.113  1.0
  O  O20  1  0.364  0.894  0.862  1.0
  O  O21  1  0.116  0.884  0.599  1.0
  O  O22  1  0.106  0.636  0.862  1.0
  O  O23  1  0.284  0.716  0.271  1.0
  O  O24  1  0.405  0.405  0.785  1.0
  O  O25  1  0.595  0.595  0.785  1.0
  O  O26  1  0.716  0.284  0.271  1.0
  O  O27  1  0.500  0.500  0.869  1.0
[/CIF]
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The material described by (Fe4As3O14)2(O2)7 crystallizes in the orthorhombic Cmm2 space group. The structure consists of four hydrogen peroxide molecules and two trioxidane molecules inside a Fe4As3O14 framework. In the Fe4As3O14 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form FeO4 tetrahedra that share  a cornercorner with one As(1)O4 tetrahedra and corners with two equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra. In the second As site, As(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form AsO4 tetrahedra that share corners with two equivalent Fe(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(1) atoms. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(2) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(2) and one As(2) atom. In the fifth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(2) and one As(1) atom. is represented by the CIF file [CIF]
data_Fe4(AsO7)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.343
_cell_length_c   7.867
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.155
_symmetry_Int_Tables_number   1
_cell_volume   547.240
_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
  Fe  Fe0  1  0.865  0.135  0.839  1.0
  Fe  Fe1  1  0.810  0.810  0.133  1.0
  Fe  Fe2  1  0.190  0.190  0.133  1.0
  Fe  Fe3  1  0.135  0.865  0.839  1.0
  As  As4  1  0.000  0.000  0.474  1.0
  As  As5  1  0.000  0.500  0.984  1.0
  As  As6  1  0.500  0.000  0.984  1.0
  O  O7  1  0.194  0.806  0.196  1.0
  O  O8  1  0.091  0.091  0.939  1.0
  O  O9  1  0.909  0.909  0.939  1.0
  O  O10  1  0.806  0.194  0.196  1.0
  O  O11  1  0.636  0.106  0.862  1.0
  O  O12  1  0.884  0.116  0.599  1.0
  O  O13  1  0.894  0.364  0.862  1.0
  O  O14  1  0.594  0.865  0.113  1.0
  O  O15  1  0.878  0.878  0.350  1.0
  O  O16  1  0.865  0.594  0.113  1.0
  O  O17  1  0.406  0.135  0.113  1.0
  O  O18  1  0.122  0.122  0.350  1.0
  O  O19  1  0.135  0.406  0.113  1.0
  O  O20  1  0.364  0.894  0.862  1.0
  O  O21  1  0.116  0.884  0.599  1.0
  O  O22  1  0.106  0.636  0.862  1.0
  O  O23  1  0.284  0.716  0.271  1.0
  O  O24  1  0.405  0.405  0.785  1.0
  O  O25  1  0.595  0.595  0.785  1.0
  O  O26  1  0.716  0.284  0.271  1.0
  O  O27  1  0.500  0.500  0.869  1.0
[/CIF]
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