The compound described by (Ca3Mn(SO7)2)2(H2)3 crystallizes in the hexagonal P6_3/mmc space group. The structure consists of six 1333-74-0 atoms inside a Ca3Mn(SO7)2 framework. In the Ca3Mn(SO7)2 framework, Ca(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share edges with six equivalent Ca(1)O6 pentagonal pyramids. S(1) is bonded to one O(1) and three equivalent O(3) atoms to form SO4 tetrahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3MnH3(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   10.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   794.672
_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  0.280  0.140  0.250  1.0
  Ca  Ca1  1  0.860  0.140  0.250  1.0
  Ca  Ca2  1  0.140  0.280  0.750  1.0
  Ca  Ca3  1  0.860  0.720  0.250  1.0
  Ca  Ca4  1  0.140  0.860  0.750  1.0
  Ca  Ca5  1  0.720  0.860  0.750  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.076  0.538  0.250  1.0
  H  H9  1  0.462  0.538  0.250  1.0
  H  H10  1  0.538  0.076  0.750  1.0
  H  H11  1  0.462  0.924  0.250  1.0
  H  H12  1  0.538  0.462  0.750  1.0
  H  H13  1  0.924  0.462  0.750  1.0
  S  S14  1  0.333  0.667  0.560  1.0
  S  S15  1  0.333  0.667  0.940  1.0
  S  S16  1  0.667  0.333  0.440  1.0
  S  S17  1  0.667  0.333  0.060  1.0
  O  O18  1  0.333  0.667  0.078  1.0
  O  O19  1  0.333  0.667  0.422  1.0
  O  O20  1  0.667  0.333  0.922  1.0
  O  O21  1  0.667  0.333  0.578  1.0
  O  O22  1  0.086  0.172  0.118  1.0
  O  O23  1  0.828  0.914  0.118  1.0
  O  O24  1  0.086  0.172  0.382  1.0
  O  O25  1  0.172  0.086  0.882  1.0
  O  O26  1  0.086  0.914  0.118  1.0
  O  O27  1  0.828  0.914  0.382  1.0
  O  O28  1  0.914  0.828  0.882  1.0
  O  O29  1  0.172  0.086  0.618  1.0
  O  O30  1  0.086  0.914  0.382  1.0
  O  O31  1  0.914  0.828  0.618  1.0
  O  O32  1  0.914  0.086  0.882  1.0
  O  O33  1  0.914  0.086  0.618  1.0
  O  O34  1  0.492  0.246  0.106  1.0
  O  O35  1  0.754  0.246  0.106  1.0
  O  O36  1  0.492  0.246  0.394  1.0
  O  O37  1  0.246  0.492  0.894  1.0
  O  O38  1  0.754  0.508  0.106  1.0
  O  O39  1  0.754  0.246  0.394  1.0
  O  O40  1  0.246  0.754  0.894  1.0
  O  O41  1  0.246  0.492  0.606  1.0
  O  O42  1  0.754  0.508  0.394  1.0
  O  O43  1  0.246  0.754  0.606  1.0
  O  O44  1  0.508  0.754  0.894  1.0
  O  O45  1  0.508  0.754  0.606  1.0
[/CIF]
.
The compound described by (Ca3Mn(SO7)2)2(H2)3 crystallizes in the hexagonal P6_3/mmc space group. The structure consists of six 1333-74-0 atoms inside a Ca3Mn(SO7)2 framework. In the Ca3Mn(SO7)2 framework, Ca(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form distorted CaO6 pentagonal pyramids that share corners with two equivalent S(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Ca(1)O6 pentagonal pyramids. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share edges with six equivalent Ca(1)O6 pentagonal pyramids. S(1) is bonded to one O(1) and three equivalent O(3) atoms to form SO4 tetrahedra that share corners with three equivalent Ca(1)O6 pentagonal pyramids. There are three inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3MnH3(SO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.226
_cell_length_b   9.226
_cell_length_c   10.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   794.672
_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  0.280  0.140  0.250  1.0
  Ca  Ca1  1  0.860  0.140  0.250  1.0
  Ca  Ca2  1  0.140  0.280  0.750  1.0
  Ca  Ca3  1  0.860  0.720  0.250  1.0
  Ca  Ca4  1  0.140  0.860  0.750  1.0
  Ca  Ca5  1  0.720  0.860  0.750  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.500  1.0
  H  H8  1  0.076  0.538  0.250  1.0
  H  H9  1  0.462  0.538  0.250  1.0
  H  H10  1  0.538  0.076  0.750  1.0
  H  H11  1  0.462  0.924  0.250  1.0
  H  H12  1  0.538  0.462  0.750  1.0
  H  H13  1  0.924  0.462  0.750  1.0
  S  S14  1  0.333  0.667  0.560  1.0
  S  S15  1  0.333  0.667  0.940  1.0
  S  S16  1  0.667  0.333  0.440  1.0
  S  S17  1  0.667  0.333  0.060  1.0
  O  O18  1  0.333  0.667  0.078  1.0
  O  O19  1  0.333  0.667  0.422  1.0
  O  O20  1  0.667  0.333  0.922  1.0
  O  O21  1  0.667  0.333  0.578  1.0
  O  O22  1  0.086  0.172  0.118  1.0
  O  O23  1  0.828  0.914  0.118  1.0
  O  O24  1  0.086  0.172  0.382  1.0
  O  O25  1  0.172  0.086  0.882  1.0
  O  O26  1  0.086  0.914  0.118  1.0
  O  O27  1  0.828  0.914  0.382  1.0
  O  O28  1  0.914  0.828  0.882  1.0
  O  O29  1  0.172  0.086  0.618  1.0
  O  O30  1  0.086  0.914  0.382  1.0
  O  O31  1  0.914  0.828  0.618  1.0
  O  O32  1  0.914  0.086  0.882  1.0
  O  O33  1  0.914  0.086  0.618  1.0
  O  O34  1  0.492  0.246  0.106  1.0
  O  O35  1  0.754  0.246  0.106  1.0
  O  O36  1  0.492  0.246  0.394  1.0
  O  O37  1  0.246  0.492  0.894  1.0
  O  O38  1  0.754  0.508  0.106  1.0
  O  O39  1  0.754  0.246  0.394  1.0
  O  O40  1  0.246  0.754  0.894  1.0
  O  O41  1  0.246  0.492  0.606  1.0
  O  O42  1  0.754  0.508  0.394  1.0
  O  O43  1  0.246  0.754  0.606  1.0
  O  O44  1  0.508  0.754  0.894  1.0
  O  O45  1  0.508  0.754  0.606  1.0
[/CIF]
.