The material described by Ca2Mn2Si4H6O17 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(16), one O(3), one O(5), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(17), one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(15), one O(2), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(14), one O(15), one O(2), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Si site, Si(3) is bonded to one O(10), one O(13), one O(3), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(11) and one O(13) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(12) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(16) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(11) and one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(14) and one O(16) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(15) and one O(17) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Mn(1), one Mn(2), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(2), one Mn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one Mn(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Si(3), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Ca(2), one Si(4), one H(1), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(2), one Si(4), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ca(1), one Si(3), and one H(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(6) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(5) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one Ca(2), one H(4), and one H(6) atom. is represented by the CIF card [CIF]
data_Ca2Mn2Si4H6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.092
_cell_length_b   5.582
_cell_length_c   5.356
_cell_angle_alpha   68.433
_cell_angle_beta   92.614
_cell_angle_gamma   91.729
_symmetry_Int_Tables_number   1
_cell_volume   335.789
_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  0.733  0.300  0.302  1.0
  Ca  Ca1  1  0.266  0.702  0.694  1.0
  Mn  Mn2  1  1.000  0.004  0.497  1.0
  Mn  Mn3  1  1.000  0.503  0.996  1.0
  Si  Si4  1  0.848  0.949  0.979  1.0
  Si  Si5  1  0.152  0.058  0.015  1.0
  Si  Si6  1  0.604  0.911  0.887  1.0
  Si  Si7  1  0.396  0.120  0.082  1.0
  H  H8  1  0.508  0.530  0.054  1.0
  H  H9  1  0.492  0.944  0.474  1.0
  H  H10  1  0.686  0.692  0.566  1.0
  H  H11  1  0.315  0.436  0.295  1.0
  H  H12  1  0.811  0.595  0.599  1.0
  H  H13  1  0.190  0.400  0.402  1.0
  O  O14  1  0.914  0.102  0.155  1.0
  O  O15  1  0.086  0.903  0.841  1.0
  O  O16  1  0.717  0.002  0.020  1.0
  O  O17  1  0.283  0.998  0.981  1.0
  O  O18  1  0.873  0.089  0.657  1.0
  O  O19  1  0.132  0.367  0.903  1.0
  O  O20  1  0.128  0.922  0.338  1.0
  O  O21  1  0.867  0.639  0.089  1.0
  O  O22  1  0.501  0.074  0.925  1.0
  O  O23  1  0.618  0.967  0.572  1.0
  O  O24  1  0.385  0.422  0.028  1.0
  O  O25  1  0.412  0.938  0.406  1.0
  O  O26  1  0.586  0.600  0.069  1.0
  O  O27  1  0.951  0.657  0.629  1.0
  O  O28  1  0.049  0.352  0.363  1.0
  O  O29  1  0.732  0.540  0.585  1.0
  O  O30  1  0.268  0.438  0.444  1.0
[/CIF]
.
The material described by Ca2Mn2Si4H6O17 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(16), one O(3), one O(5), and one O(8) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(17), one O(2), one O(4), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(14), one O(15), one O(2), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(14), one O(15), one O(2), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the third Si site, Si(3) is bonded to one O(10), one O(13), one O(3), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(11), one O(12), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. There are six inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(11) and one O(13) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(12) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(16) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(11) and one O(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(14) and one O(16) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(15) and one O(17) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Mn(1), one Mn(2), and one Si(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Si(1), and one Si(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(2), one Si(2), and one Si(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ca(2), one Mn(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one Mn(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Mn(2), and one Si(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(1), one Si(3), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Ca(2), one Si(4), one H(1), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ca(2), one Si(4), and one H(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ca(1), one Si(3), and one H(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one H(6) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(5) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one Ca(2), one H(4), and one H(6) atom. is represented by the CIF card [CIF]
data_Ca2Mn2Si4H6O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.092
_cell_length_b   5.582
_cell_length_c   5.356
_cell_angle_alpha   68.433
_cell_angle_beta   92.614
_cell_angle_gamma   91.729
_symmetry_Int_Tables_number   1
_cell_volume   335.789
_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  0.733  0.300  0.302  1.0
  Ca  Ca1  1  0.266  0.702  0.694  1.0
  Mn  Mn2  1  1.000  0.004  0.497  1.0
  Mn  Mn3  1  1.000  0.503  0.996  1.0
  Si  Si4  1  0.848  0.949  0.979  1.0
  Si  Si5  1  0.152  0.058  0.015  1.0
  Si  Si6  1  0.604  0.911  0.887  1.0
  Si  Si7  1  0.396  0.120  0.082  1.0
  H  H8  1  0.508  0.530  0.054  1.0
  H  H9  1  0.492  0.944  0.474  1.0
  H  H10  1  0.686  0.692  0.566  1.0
  H  H11  1  0.315  0.436  0.295  1.0
  H  H12  1  0.811  0.595  0.599  1.0
  H  H13  1  0.190  0.400  0.402  1.0
  O  O14  1  0.914  0.102  0.155  1.0
  O  O15  1  0.086  0.903  0.841  1.0
  O  O16  1  0.717  0.002  0.020  1.0
  O  O17  1  0.283  0.998  0.981  1.0
  O  O18  1  0.873  0.089  0.657  1.0
  O  O19  1  0.132  0.367  0.903  1.0
  O  O20  1  0.128  0.922  0.338  1.0
  O  O21  1  0.867  0.639  0.089  1.0
  O  O22  1  0.501  0.074  0.925  1.0
  O  O23  1  0.618  0.967  0.572  1.0
  O  O24  1  0.385  0.422  0.028  1.0
  O  O25  1  0.412  0.938  0.406  1.0
  O  O26  1  0.586  0.600  0.069  1.0
  O  O27  1  0.951  0.657  0.629  1.0
  O  O28  1  0.049  0.352  0.363  1.0
  O  O29  1  0.732  0.540  0.585  1.0
  O  O30  1  0.268  0.438  0.444  1.0
[/CIF]
.