The compound described by Ca4MgZnAs4(H2O5)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(9), two equivalent O(1), and two equivalent O(7) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. Zn(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second As site, As(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(5) and one O(9) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(10) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(6) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Mg(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(2), one Mg(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Mg(1), and one As(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one As(1), one H(1), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one As(2), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_Ca4MgZnAs4(H2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.964
_cell_length_c   13.199
_cell_angle_alpha   92.109
_cell_angle_beta   81.701
_cell_angle_gamma   109.525
_symmetry_Int_Tables_number   1
_cell_volume   415.374
_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
  Ca  Ca0  1  0.232  0.588  0.119  1.0
  Ca  Ca1  1  0.731  0.088  0.619  1.0
  Ca  Ca2  1  0.269  0.912  0.381  1.0
  Ca  Ca3  1  0.768  0.412  0.881  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.950  0.285  0.377  1.0
  As  As7  1  0.449  0.783  0.877  1.0
  As  As8  1  0.551  0.217  0.123  1.0
  As  As9  1  0.050  0.715  0.623  1.0
  H  H10  1  0.727  0.813  0.347  1.0
  H  H11  1  0.229  0.312  0.847  1.0
  H  H12  1  0.771  0.688  0.153  1.0
  H  H13  1  0.273  0.187  0.653  1.0
  H  H14  1  0.541  0.575  0.302  1.0
  H  H15  1  0.042  0.073  0.802  1.0
  H  H16  1  0.958  0.927  0.198  1.0
  H  H17  1  0.459  0.425  0.698  1.0
  O  O18  1  0.641  0.223  0.436  1.0
  O  O19  1  0.138  0.718  0.934  1.0
  O  O20  1  0.862  0.282  0.066  1.0
  O  O21  1  0.359  0.777  0.564  1.0
  O  O22  1  0.058  0.537  0.304  1.0
  O  O23  1  0.558  0.036  0.804  1.0
  O  O24  1  0.442  0.964  0.196  1.0
  O  O25  1  0.942  0.463  0.696  1.0
  O  O26  1  0.560  0.680  0.364  1.0
  O  O27  1  0.058  0.181  0.864  1.0
  O  O28  1  0.942  0.819  0.136  1.0
  O  O29  1  0.440  0.320  0.636  1.0
  O  O30  1  0.127  0.281  0.474  1.0
  O  O31  1  0.620  0.778  0.976  1.0
  O  O32  1  0.380  0.222  0.024  1.0
  O  O33  1  0.873  0.719  0.526  1.0
  O  O34  1  0.968  0.036  0.309  1.0
  O  O35  1  0.468  0.535  0.808  1.0
  O  O36  1  0.532  0.465  0.192  1.0
  O  O37  1  0.032  0.964  0.691  1.0
[/CIF]
.
The compound described by Ca4MgZnAs4(H2O5)4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(3), one O(4), one O(6), two equivalent O(2), and two equivalent O(8) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(9), two equivalent O(1), and two equivalent O(7) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form MgO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. Zn(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form ZnO6 octahedra that share corners with four equivalent As(2)O4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form AsO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second As site, As(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(5) and one O(9) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(10) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(6) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Mg(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one As(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(2), one Mg(1), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Ca(1), one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Mg(1), and one As(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one As(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Ca(2), one As(1), one H(1), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one As(2), one H(2), and one H(3) atom. is represented by the CIF file [CIF]
data_Ca4MgZnAs4(H2O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.659
_cell_length_b   5.964
_cell_length_c   13.199
_cell_angle_alpha   92.109
_cell_angle_beta   81.701
_cell_angle_gamma   109.525
_symmetry_Int_Tables_number   1
_cell_volume   415.374
_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
  Ca  Ca0  1  0.232  0.588  0.119  1.0
  Ca  Ca1  1  0.731  0.088  0.619  1.0
  Ca  Ca2  1  0.269  0.912  0.381  1.0
  Ca  Ca3  1  0.768  0.412  0.881  1.0
  Mg  Mg4  1  0.500  0.500  0.500  1.0
  Zn  Zn5  1  0.000  0.000  0.000  1.0
  As  As6  1  0.950  0.285  0.377  1.0
  As  As7  1  0.449  0.783  0.877  1.0
  As  As8  1  0.551  0.217  0.123  1.0
  As  As9  1  0.050  0.715  0.623  1.0
  H  H10  1  0.727  0.813  0.347  1.0
  H  H11  1  0.229  0.312  0.847  1.0
  H  H12  1  0.771  0.688  0.153  1.0
  H  H13  1  0.273  0.187  0.653  1.0
  H  H14  1  0.541  0.575  0.302  1.0
  H  H15  1  0.042  0.073  0.802  1.0
  H  H16  1  0.958  0.927  0.198  1.0
  H  H17  1  0.459  0.425  0.698  1.0
  O  O18  1  0.641  0.223  0.436  1.0
  O  O19  1  0.138  0.718  0.934  1.0
  O  O20  1  0.862  0.282  0.066  1.0
  O  O21  1  0.359  0.777  0.564  1.0
  O  O22  1  0.058  0.537  0.304  1.0
  O  O23  1  0.558  0.036  0.804  1.0
  O  O24  1  0.442  0.964  0.196  1.0
  O  O25  1  0.942  0.463  0.696  1.0
  O  O26  1  0.560  0.680  0.364  1.0
  O  O27  1  0.058  0.181  0.864  1.0
  O  O28  1  0.942  0.819  0.136  1.0
  O  O29  1  0.440  0.320  0.636  1.0
  O  O30  1  0.127  0.281  0.474  1.0
  O  O31  1  0.620  0.778  0.976  1.0
  O  O32  1  0.380  0.222  0.024  1.0
  O  O33  1  0.873  0.719  0.526  1.0
  O  O34  1  0.968  0.036  0.309  1.0
  O  O35  1  0.468  0.535  0.808  1.0
  O  O36  1  0.532  0.465  0.192  1.0
  O  O37  1  0.032  0.964  0.691  1.0
[/CIF]
.