The material structure described by KCa(HO)8(H2)2AsO2(H2O)2 is Indium-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is zero-dimensional and consists of four 1333-74-0 molecules, four water molecules, two AsO2 clusters, and two KCa(HO)8 clusters. In each AsO2 cluster, As(1) is bonded in a bent 120 degrees geometry to two equivalent O(2) atoms. O(2) is bonded in a single-bond geometry to one As(1) atom. In each KCa(HO)8 cluster, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(3) and four equivalent O(4) atoms. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Ca(1), and one O(3) atom. In the second O site, O(4) is bonded in a single-bond geometry to one K(1) and one H(2) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Ca(1) and two equivalent H(3) atoms. is represented by the CIF card [CIF]
data_KCaAs(H4O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.481
_cell_length_b   8.481
_cell_length_c   7.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.770
_symmetry_Int_Tables_number   1
_cell_volume   472.627
_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
  K  K0  1  0.411  0.589  0.000  1.0
  Ca  Ca1  1  0.115  0.885  0.000  1.0
  As  As2  1  0.584  0.416  0.500  1.0
  H  H3  1  0.464  0.932  0.550  1.0
  H  H4  1  0.068  0.536  0.450  1.0
  H  H5  1  0.068  0.536  0.550  1.0
  H  H6  1  0.464  0.932  0.450  1.0
  H  H7  1  0.736  0.526  0.145  1.0
  H  H8  1  0.474  0.264  0.855  1.0
  H  H9  1  0.474  0.264  0.145  1.0
  H  H10  1  0.736  0.526  0.855  1.0
  H  H11  1  0.982  0.838  0.369  1.0
  H  H12  1  0.162  0.018  0.631  1.0
  H  H13  1  0.162  0.018  0.369  1.0
  H  H14  1  0.982  0.838  0.631  1.0
  H  H15  1  0.156  0.298  0.397  1.0
  H  H16  1  0.702  0.844  0.603  1.0
  H  H17  1  0.702  0.844  0.397  1.0
  H  H18  1  0.156  0.298  0.603  1.0
  O  O19  1  0.761  0.824  0.500  1.0
  O  O20  1  0.176  0.239  0.500  1.0
  O  O21  1  0.650  0.350  0.308  1.0
  O  O22  1  0.650  0.350  0.692  1.0
  O  O23  1  0.164  0.661  0.000  1.0
  O  O24  1  0.339  0.836  0.000  1.0
  O  O25  1  0.762  0.649  0.900  1.0
  O  O26  1  0.351  0.238  0.100  1.0
  O  O27  1  0.351  0.238  0.900  1.0
  O  O28  1  0.762  0.649  0.100  1.0
  O  O29  1  0.095  0.905  0.306  1.0
  O  O30  1  0.095  0.905  0.694  1.0
[/CIF]
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The material structure described by KCa(HO)8(H2)2AsO2(H2O)2 is Indium-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is zero-dimensional and consists of four 1333-74-0 molecules, four water molecules, two AsO2 clusters, and two KCa(HO)8 clusters. In each AsO2 cluster, As(1) is bonded in a bent 120 degrees geometry to two equivalent O(2) atoms. O(2) is bonded in a single-bond geometry to one As(1) atom. In each KCa(HO)8 cluster, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(3) and four equivalent O(4) atoms. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one O(5) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Ca(1), and one O(3) atom. In the second O site, O(4) is bonded in a single-bond geometry to one K(1) and one H(2) atom. In the third O site, O(5) is bonded in a distorted water-like geometry to one Ca(1) and two equivalent H(3) atoms. is represented by the CIF card [CIF]
data_KCaAs(H4O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.481
_cell_length_b   8.481
_cell_length_c   7.497
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.770
_symmetry_Int_Tables_number   1
_cell_volume   472.627
_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
  K  K0  1  0.411  0.589  0.000  1.0
  Ca  Ca1  1  0.115  0.885  0.000  1.0
  As  As2  1  0.584  0.416  0.500  1.0
  H  H3  1  0.464  0.932  0.550  1.0
  H  H4  1  0.068  0.536  0.450  1.0
  H  H5  1  0.068  0.536  0.550  1.0
  H  H6  1  0.464  0.932  0.450  1.0
  H  H7  1  0.736  0.526  0.145  1.0
  H  H8  1  0.474  0.264  0.855  1.0
  H  H9  1  0.474  0.264  0.145  1.0
  H  H10  1  0.736  0.526  0.855  1.0
  H  H11  1  0.982  0.838  0.369  1.0
  H  H12  1  0.162  0.018  0.631  1.0
  H  H13  1  0.162  0.018  0.369  1.0
  H  H14  1  0.982  0.838  0.631  1.0
  H  H15  1  0.156  0.298  0.397  1.0
  H  H16  1  0.702  0.844  0.603  1.0
  H  H17  1  0.702  0.844  0.397  1.0
  H  H18  1  0.156  0.298  0.603  1.0
  O  O19  1  0.761  0.824  0.500  1.0
  O  O20  1  0.176  0.239  0.500  1.0
  O  O21  1  0.650  0.350  0.308  1.0
  O  O22  1  0.650  0.350  0.692  1.0
  O  O23  1  0.164  0.661  0.000  1.0
  O  O24  1  0.339  0.836  0.000  1.0
  O  O25  1  0.762  0.649  0.900  1.0
  O  O26  1  0.351  0.238  0.100  1.0
  O  O27  1  0.351  0.238  0.900  1.0
  O  O28  1  0.762  0.649  0.100  1.0
  O  O29  1  0.095  0.905  0.306  1.0
  O  O30  1  0.095  0.905  0.694  1.0
[/CIF]
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