The structure described by Fe2CuAs2(HO5)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. As(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one As(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one As(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2CuAs2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.381
_cell_length_c   8.091
_cell_angle_alpha   99.566
_cell_angle_beta   103.726
_cell_angle_gamma   110.834
_symmetry_Int_Tables_number   1
_cell_volume   200.320
_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  0.975  0.718  0.312  1.0
  Fe  Fe1  1  0.025  0.282  0.688  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.355  0.948  0.732  1.0
  As  As4  1  0.645  0.052  0.268  1.0
  H  H5  1  0.539  0.277  0.521  1.0
  H  H6  1  0.461  0.723  0.479  1.0
  O  O7  1  0.731  0.075  0.803  1.0
  O  O8  1  0.746  0.833  0.121  1.0
  O  O9  1  0.276  0.674  0.510  1.0
  O  O10  1  0.271  0.144  0.580  1.0
  O  O11  1  0.809  0.332  0.191  1.0
  O  O12  1  0.191  0.668  0.809  1.0
  O  O13  1  0.729  0.856  0.420  1.0
  O  O14  1  0.724  0.326  0.490  1.0
  O  O15  1  0.254  0.167  0.879  1.0
  O  O16  1  0.269  0.925  0.197  1.0
[/CIF]
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The structure described by Fe2CuAs2(HO5)2 crystallizes in the triclinic P-1 space group. Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. As(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. H(1) is bonded in a distorted linear geometry to one O(3) and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Fe(1), one Cu(1), and one As(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Fe(1), one As(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one As(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe2CuAs2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.381
_cell_length_c   8.091
_cell_angle_alpha   99.566
_cell_angle_beta   103.726
_cell_angle_gamma   110.834
_symmetry_Int_Tables_number   1
_cell_volume   200.320
_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  0.975  0.718  0.312  1.0
  Fe  Fe1  1  0.025  0.282  0.688  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.355  0.948  0.732  1.0
  As  As4  1  0.645  0.052  0.268  1.0
  H  H5  1  0.539  0.277  0.521  1.0
  H  H6  1  0.461  0.723  0.479  1.0
  O  O7  1  0.731  0.075  0.803  1.0
  O  O8  1  0.746  0.833  0.121  1.0
  O  O9  1  0.276  0.674  0.510  1.0
  O  O10  1  0.271  0.144  0.580  1.0
  O  O11  1  0.809  0.332  0.191  1.0
  O  O12  1  0.191  0.668  0.809  1.0
  O  O13  1  0.729  0.856  0.420  1.0
  O  O14  1  0.724  0.326  0.490  1.0
  O  O15  1  0.254  0.167  0.879  1.0
  O  O16  1  0.269  0.925  0.197  1.0
[/CIF]
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