The crystal structure described by CaMnZnAs2H3O10 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the second As site, As(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(8) 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(7) atom. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1), one Zn(1), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Zn(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Zn(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Zn(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one As(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one As(2), and one H(1) atom. In the ninth O site, O(9) is bonded to one Mn(1), one Zn(1), one H(1), and one H(3) atom to form distorted corner-sharing OMnZnH2 tetrahedra. In the tenth O site, O(10) is bonded to one Mn(1), one Zn(1), one H(2), and one H(3) atom to form distorted corner-sharing OMnZnH2 tetrahedra. is represented by the CIF file [CIF]
data_CaMnZnAs2H3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.621
_cell_length_c   7.405
_cell_angle_alpha   111.260
_cell_angle_beta   96.504
_cell_angle_gamma   109.561
_symmetry_Int_Tables_number   1
_cell_volume   195.752
_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
  As  As0  1  0.586  0.208  0.798  1.0
  As  As1  1  0.418  0.791  0.202  1.0
  Ca  Ca2  1  0.002  0.001  0.001  1.0
  H  H3  1  0.210  0.546  0.746  1.0
  H  H4  1  0.793  0.454  0.266  1.0
  H  H5  1  0.030  0.494  0.520  1.0
  Mn  Mn6  1  0.506  0.500  0.499  1.0
  O  O7  1  0.248  0.078  0.764  1.0
  O  O8  1  0.679  0.505  0.749  1.0
  O  O9  1  0.755  0.923  0.237  1.0
  O  O10  1  0.324  0.495  0.253  1.0
  O  O11  1  0.684  0.961  0.644  1.0
  O  O12  1  0.315  0.037  0.352  1.0
  O  O13  1  0.757  0.288  0.031  1.0
  O  O14  1  0.247  0.709  0.968  1.0
  O  O15  1  0.171  0.445  0.591  1.0
  O  O16  1  0.834  0.554  0.418  1.0
  Zn  Zn17  1  0.000  0.985  0.497  1.0
[/CIF]
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The crystal structure described by CaMnZnAs2H3O10 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form ZnO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-60°. In the second As site, As(2) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(8) 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(7) atom. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(9) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ca(1), one Zn(1), and one As(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1), one Zn(1), and one As(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ca(1), one Mn(1), and one As(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Zn(1), and one As(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), one Zn(1), and one As(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one As(1), and one H(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one As(2), and one H(1) atom. In the ninth O site, O(9) is bonded to one Mn(1), one Zn(1), one H(1), and one H(3) atom to form distorted corner-sharing OMnZnH2 tetrahedra. In the tenth O site, O(10) is bonded to one Mn(1), one Zn(1), one H(2), and one H(3) atom to form distorted corner-sharing OMnZnH2 tetrahedra. is represented by the CIF file [CIF]
data_CaMnZnAs2H3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.621
_cell_length_c   7.405
_cell_angle_alpha   111.260
_cell_angle_beta   96.504
_cell_angle_gamma   109.561
_symmetry_Int_Tables_number   1
_cell_volume   195.752
_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
  As  As0  1  0.586  0.208  0.798  1.0
  As  As1  1  0.418  0.791  0.202  1.0
  Ca  Ca2  1  0.002  0.001  0.001  1.0
  H  H3  1  0.210  0.546  0.746  1.0
  H  H4  1  0.793  0.454  0.266  1.0
  H  H5  1  0.030  0.494  0.520  1.0
  Mn  Mn6  1  0.506  0.500  0.499  1.0
  O  O7  1  0.248  0.078  0.764  1.0
  O  O8  1  0.679  0.505  0.749  1.0
  O  O9  1  0.755  0.923  0.237  1.0
  O  O10  1  0.324  0.495  0.253  1.0
  O  O11  1  0.684  0.961  0.644  1.0
  O  O12  1  0.315  0.037  0.352  1.0
  O  O13  1  0.757  0.288  0.031  1.0
  O  O14  1  0.247  0.709  0.968  1.0
  O  O15  1  0.171  0.445  0.591  1.0
  O  O16  1  0.834  0.554  0.418  1.0
  Zn  Zn17  1  0.000  0.985  0.497  1.0
[/CIF]
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