The compound described by CaAs2(HO2)4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(8) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(5) atoms. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(3) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one As(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ca(1), one As(2), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one As(2) and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one As(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one As(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Ca(1), one As(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one As(1), one H(1), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAs2(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   7.945
_cell_length_c   8.756
_cell_angle_alpha   111.404
_cell_angle_beta   109.153
_cell_angle_gamma   92.840
_symmetry_Int_Tables_number   1
_cell_volume   346.720
_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  0.309  0.185  0.082  1.0
  Ca  Ca1  1  0.691  0.815  0.918  1.0
  As  As2  1  0.328  0.770  0.184  1.0
  As  As3  1  0.672  0.230  0.816  1.0
  As  As4  1  0.978  0.241  0.343  1.0
  As  As5  1  0.022  0.759  0.657  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.000  0.500  0.000  1.0
  H  H8  1  0.649  0.628  0.272  1.0
  H  H9  1  0.351  0.372  0.728  1.0
  H  H10  1  0.270  0.517  0.498  1.0
  H  H11  1  0.730  0.483  0.502  1.0
  H  H12  1  0.915  0.179  0.568  1.0
  H  H13  1  0.085  0.821  0.432  1.0
  O  O14  1  0.999  0.064  0.171  1.0
  O  O15  1  0.230  0.405  0.382  1.0
  O  O16  1  0.931  0.787  0.455  1.0
  O  O17  1  0.770  0.595  0.618  1.0
  O  O18  1  0.293  0.679  0.685  1.0
  O  O19  1  0.707  0.321  0.315  1.0
  O  O20  1  0.973  0.335  0.959  1.0
  O  O21  1  0.027  0.665  0.041  1.0
  O  O22  1  0.529  0.092  0.880  1.0
  O  O23  1  0.471  0.908  0.120  1.0
  O  O24  1  0.521  0.420  0.822  1.0
  O  O25  1  0.479  0.580  0.178  1.0
  O  O26  1  0.671  0.126  0.606  1.0
  O  O27  1  0.329  0.874  0.394  1.0
  O  O28  1  0.069  0.213  0.545  1.0
  O  O29  1  0.001  0.936  0.829  1.0
[/CIF]
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The compound described by CaAs2(HO2)4 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent O(8) atoms. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(5) atoms. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(2) and one O(4) atom. In the fifth H site, H(5) is bonded in a linear geometry to one O(3) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one As(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ca(1), one As(2), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one As(2) and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one As(2), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one As(1), and one H(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Ca(1), one As(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one As(1), one H(1), and one H(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaAs2(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.775
_cell_length_b   7.945
_cell_length_c   8.756
_cell_angle_alpha   111.404
_cell_angle_beta   109.153
_cell_angle_gamma   92.840
_symmetry_Int_Tables_number   1
_cell_volume   346.720
_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  0.309  0.185  0.082  1.0
  Ca  Ca1  1  0.691  0.815  0.918  1.0
  As  As2  1  0.328  0.770  0.184  1.0
  As  As3  1  0.672  0.230  0.816  1.0
  As  As4  1  0.978  0.241  0.343  1.0
  As  As5  1  0.022  0.759  0.657  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.000  0.500  0.000  1.0
  H  H8  1  0.649  0.628  0.272  1.0
  H  H9  1  0.351  0.372  0.728  1.0
  H  H10  1  0.270  0.517  0.498  1.0
  H  H11  1  0.730  0.483  0.502  1.0
  H  H12  1  0.915  0.179  0.568  1.0
  H  H13  1  0.085  0.821  0.432  1.0
  O  O14  1  0.999  0.064  0.171  1.0
  O  O15  1  0.230  0.405  0.382  1.0
  O  O16  1  0.931  0.787  0.455  1.0
  O  O17  1  0.770  0.595  0.618  1.0
  O  O18  1  0.293  0.679  0.685  1.0
  O  O19  1  0.707  0.321  0.315  1.0
  O  O20  1  0.973  0.335  0.959  1.0
  O  O21  1  0.027  0.665  0.041  1.0
  O  O22  1  0.529  0.092  0.880  1.0
  O  O23  1  0.471  0.908  0.120  1.0
  O  O24  1  0.521  0.420  0.822  1.0
  O  O25  1  0.479  0.580  0.178  1.0
  O  O26  1  0.671  0.126  0.606  1.0
  O  O27  1  0.329  0.874  0.394  1.0
  O  O28  1  0.069  0.213  0.545  1.0
  O  O29  1  0.001  0.936  0.829  1.0
[/CIF]
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