The compound described by Mn(MoO3)(SeO3)(H2O) crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one H(2), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one Mn(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MnMoH2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.113
_cell_length_b   6.888
_cell_length_c   9.156
_cell_angle_alpha   92.188
_cell_angle_beta   96.474
_cell_angle_gamma   109.758
_symmetry_Int_Tables_number   1
_cell_volume   300.532
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.205  0.907  0.601  1.0
  Mo  Mo3  1  0.795  0.093  0.399  1.0
  H  H4  1  0.592  0.629  0.866  1.0
  H  H5  1  0.408  0.371  0.134  1.0
  H  H6  1  0.451  0.738  0.982  1.0
  H  H7  1  0.549  0.262  0.018  1.0
  Se  Se8  1  0.152  0.690  0.245  1.0
  Se  Se9  1  0.848  0.310  0.755  1.0
  O  O10  1  0.626  0.741  0.944  1.0
  O  O11  1  0.374  0.259  0.056  1.0
  O  O12  1  0.213  0.782  0.079  1.0
  O  O13  1  0.787  0.218  0.921  1.0
  O  O14  1  0.343  0.533  0.275  1.0
  O  O15  1  0.657  0.467  0.725  1.0
  O  O16  1  0.376  0.912  0.377  1.0
  O  O17  1  0.624  0.088  0.623  1.0
  O  O18  1  0.262  0.667  0.607  1.0
  O  O19  1  0.738  0.333  0.393  1.0
  O  O20  1  0.843  0.812  0.491  1.0
  O  O21  1  0.157  0.188  0.509  1.0
  O  O22  1  0.147  0.967  0.780  1.0
  O  O23  1  0.853  0.033  0.220  1.0
[/CIF]
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The compound described by Mn(MoO3)(SeO3)(H2O) crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one H(2), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one Mn(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MnMoH2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.113
_cell_length_b   6.888
_cell_length_c   9.156
_cell_angle_alpha   92.188
_cell_angle_beta   96.474
_cell_angle_gamma   109.758
_symmetry_Int_Tables_number   1
_cell_volume   300.532
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.205  0.907  0.601  1.0
  Mo  Mo3  1  0.795  0.093  0.399  1.0
  H  H4  1  0.592  0.629  0.866  1.0
  H  H5  1  0.408  0.371  0.134  1.0
  H  H6  1  0.451  0.738  0.982  1.0
  H  H7  1  0.549  0.262  0.018  1.0
  Se  Se8  1  0.152  0.690  0.245  1.0
  Se  Se9  1  0.848  0.310  0.755  1.0
  O  O10  1  0.626  0.741  0.944  1.0
  O  O11  1  0.374  0.259  0.056  1.0
  O  O12  1  0.213  0.782  0.079  1.0
  O  O13  1  0.787  0.218  0.921  1.0
  O  O14  1  0.343  0.533  0.275  1.0
  O  O15  1  0.657  0.467  0.725  1.0
  O  O16  1  0.376  0.912  0.377  1.0
  O  O17  1  0.624  0.088  0.623  1.0
  O  O18  1  0.262  0.667  0.607  1.0
  O  O19  1  0.738  0.333  0.393  1.0
  O  O20  1  0.843  0.812  0.491  1.0
  O  O21  1  0.157  0.188  0.509  1.0
  O  O22  1  0.147  0.967  0.780  1.0
  O  O23  1  0.853  0.033  0.220  1.0
[/CIF]
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