The material described by Ca2MnAs2(HO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form MnH2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)H2O4 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. H(1) is bonded in a single-bond geometry to one Mn(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one As(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one Mn(1), and one As(1) atom to form a mixture of edge and corner-sharing OCa2MnAs tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca2MnAs2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   5.639
_cell_length_c   12.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.419
_symmetry_Int_Tables_number   1
_cell_volume   401.147
_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  0.438  0.744  0.874  1.0
  Ca  Ca1  1  0.562  0.256  0.126  1.0
  Ca  Ca2  1  0.562  0.756  0.374  1.0
  Ca  Ca3  1  0.438  0.244  0.626  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  As  As6  1  0.790  0.933  0.627  1.0
  As  As7  1  0.210  0.067  0.373  1.0
  As  As8  1  0.210  0.567  0.127  1.0
  As  As9  1  0.790  0.433  0.873  1.0
  H  H10  1  0.867  0.456  0.373  1.0
  H  H11  1  0.133  0.544  0.627  1.0
  H  H12  1  0.133  0.044  0.873  1.0
  H  H13  1  0.867  0.956  0.127  1.0
  O  O14  1  0.765  0.666  0.963  1.0
  O  O15  1  0.235  0.334  0.037  1.0
  O  O16  1  0.235  0.834  0.463  1.0
  O  O17  1  0.765  0.166  0.537  1.0
  O  O18  1  0.715  0.659  0.550  1.0
  O  O19  1  0.285  0.341  0.450  1.0
  O  O20  1  0.285  0.841  0.050  1.0
  O  O21  1  0.715  0.159  0.950  1.0
  O  O22  1  0.063  0.515  0.820  1.0
  O  O23  1  0.937  0.485  0.180  1.0
  O  O24  1  0.937  0.985  0.320  1.0
  O  O25  1  0.063  0.015  0.680  1.0
  O  O26  1  0.565  0.922  0.711  1.0
  O  O27  1  0.435  0.078  0.289  1.0
  O  O28  1  0.435  0.578  0.211  1.0
  O  O29  1  0.565  0.422  0.789  1.0
[/CIF]
.
The material described by Ca2MnAs2(HO4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms. Mn(1) is bonded to two equivalent H(1), two equivalent O(1), and two equivalent O(2) atoms to form MnH2O4 octahedra that share corners with four equivalent As(1)O4 tetrahedra. As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with two equivalent Mn(1)H2O4 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. H(1) is bonded in a single-bond geometry to one Mn(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(1), and one As(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(1), one Mn(1), and one As(1) atom to form a mixture of edge and corner-sharing OCa2MnAs tetrahedra. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one As(1) atom. is represented by the CIF file [CIF]
data_Ca2MnAs2(HO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.085
_cell_length_b   5.639
_cell_length_c   12.559
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.419
_symmetry_Int_Tables_number   1
_cell_volume   401.147
_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  0.438  0.744  0.874  1.0
  Ca  Ca1  1  0.562  0.256  0.126  1.0
  Ca  Ca2  1  0.562  0.756  0.374  1.0
  Ca  Ca3  1  0.438  0.244  0.626  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  As  As6  1  0.790  0.933  0.627  1.0
  As  As7  1  0.210  0.067  0.373  1.0
  As  As8  1  0.210  0.567  0.127  1.0
  As  As9  1  0.790  0.433  0.873  1.0
  H  H10  1  0.867  0.456  0.373  1.0
  H  H11  1  0.133  0.544  0.627  1.0
  H  H12  1  0.133  0.044  0.873  1.0
  H  H13  1  0.867  0.956  0.127  1.0
  O  O14  1  0.765  0.666  0.963  1.0
  O  O15  1  0.235  0.334  0.037  1.0
  O  O16  1  0.235  0.834  0.463  1.0
  O  O17  1  0.765  0.166  0.537  1.0
  O  O18  1  0.715  0.659  0.550  1.0
  O  O19  1  0.285  0.341  0.450  1.0
  O  O20  1  0.285  0.841  0.050  1.0
  O  O21  1  0.715  0.159  0.950  1.0
  O  O22  1  0.063  0.515  0.820  1.0
  O  O23  1  0.937  0.485  0.180  1.0
  O  O24  1  0.937  0.985  0.320  1.0
  O  O25  1  0.063  0.015  0.680  1.0
  O  O26  1  0.565  0.922  0.711  1.0
  O  O27  1  0.435  0.078  0.289  1.0
  O  O28  1  0.435  0.578  0.211  1.0
  O  O29  1  0.565  0.422  0.789  1.0
[/CIF]
.