The compound described by BaFeSi4O10 crystallizes in the orthorhombic P2_12_12 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Fe(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_BaFe(Si2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.537
_cell_length_c   8.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.956
_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
  Ba  Ba0  1  0.500  0.500  0.980  1.0
  Ba  Ba1  1  0.000  0.000  0.020  1.0
  Fe  Fe2  1  0.500  0.000  0.189  1.0
  Fe  Fe3  1  0.000  0.500  0.811  1.0
  Si  Si4  1  0.258  0.185  0.703  1.0
  Si  Si5  1  0.758  0.315  0.297  1.0
  Si  Si6  1  0.242  0.685  0.297  1.0
  Si  Si7  1  0.742  0.815  0.703  1.0
  Si  Si8  1  0.685  0.222  0.674  1.0
  Si  Si9  1  0.185  0.278  0.326  1.0
  Si  Si10  1  0.815  0.722  0.326  1.0
  Si  Si11  1  0.315  0.778  0.674  1.0
  O  O12  1  0.148  0.278  0.848  1.0
  O  O13  1  0.648  0.222  0.152  1.0
  O  O14  1  0.352  0.778  0.152  1.0
  O  O15  1  0.852  0.722  0.848  1.0
  O  O16  1  0.223  0.627  0.781  1.0
  O  O17  1  0.723  0.873  0.219  1.0
  O  O18  1  0.277  0.127  0.219  1.0
  O  O19  1  0.777  0.373  0.781  1.0
  O  O20  1  0.228  0.971  0.720  1.0
  O  O21  1  0.728  0.529  0.280  1.0
  O  O22  1  0.272  0.471  0.280  1.0
  O  O23  1  0.772  0.029  0.720  1.0
  O  O24  1  0.804  0.749  0.523  1.0
  O  O25  1  0.304  0.751  0.477  1.0
  O  O26  1  0.696  0.249  0.477  1.0
  O  O27  1  0.196  0.251  0.523  1.0
  O  O28  1  0.527  0.776  0.727  1.0
  O  O29  1  0.027  0.724  0.273  1.0
  O  O30  1  0.973  0.276  0.273  1.0
  O  O31  1  0.473  0.224  0.727  1.0
[/CIF]
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The compound described by BaFeSi4O10 crystallizes in the orthorhombic P2_12_12 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Fe(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing SiO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Si(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_BaFe(Si2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.397
_cell_length_b   7.537
_cell_length_c   8.106
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   451.956
_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
  Ba  Ba0  1  0.500  0.500  0.980  1.0
  Ba  Ba1  1  0.000  0.000  0.020  1.0
  Fe  Fe2  1  0.500  0.000  0.189  1.0
  Fe  Fe3  1  0.000  0.500  0.811  1.0
  Si  Si4  1  0.258  0.185  0.703  1.0
  Si  Si5  1  0.758  0.315  0.297  1.0
  Si  Si6  1  0.242  0.685  0.297  1.0
  Si  Si7  1  0.742  0.815  0.703  1.0
  Si  Si8  1  0.685  0.222  0.674  1.0
  Si  Si9  1  0.185  0.278  0.326  1.0
  Si  Si10  1  0.815  0.722  0.326  1.0
  Si  Si11  1  0.315  0.778  0.674  1.0
  O  O12  1  0.148  0.278  0.848  1.0
  O  O13  1  0.648  0.222  0.152  1.0
  O  O14  1  0.352  0.778  0.152  1.0
  O  O15  1  0.852  0.722  0.848  1.0
  O  O16  1  0.223  0.627  0.781  1.0
  O  O17  1  0.723  0.873  0.219  1.0
  O  O18  1  0.277  0.127  0.219  1.0
  O  O19  1  0.777  0.373  0.781  1.0
  O  O20  1  0.228  0.971  0.720  1.0
  O  O21  1  0.728  0.529  0.280  1.0
  O  O22  1  0.272  0.471  0.280  1.0
  O  O23  1  0.772  0.029  0.720  1.0
  O  O24  1  0.804  0.749  0.523  1.0
  O  O25  1  0.304  0.751  0.477  1.0
  O  O26  1  0.696  0.249  0.477  1.0
  O  O27  1  0.196  0.251  0.523  1.0
  O  O28  1  0.527  0.776  0.727  1.0
  O  O29  1  0.027  0.724  0.273  1.0
  O  O30  1  0.973  0.276  0.273  1.0
  O  O31  1  0.473  0.224  0.727  1.0
[/CIF]
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