The crystal structure described by CsMoAsH2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(2), one O(11), one O(13), one O(14), one O(3), one O(4), one O(5), one O(8), one O(9), and two equivalent O(12) atoms. In the second Cs site, Cs(2) is bonded in a 13-coordinate geometry to one H(3), one H(4), one O(11), one O(14), one O(3), one O(4), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(5) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(2), one O(6), and one O(9) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one Cs(1), one O(7), and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(2) and one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Cs(2) and one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one Mo(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mo(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cs(2), one Mo(2), and one As(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(2), one As(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cs(1), one Cs(2), one As(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to two equivalent Cs(2) and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Cs(1), one Cs(2), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_CsMoAsH2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   9.924
_cell_length_c   11.012
_cell_angle_alpha   64.372
_cell_angle_beta   70.210
_cell_angle_gamma   73.762
_symmetry_Int_Tables_number   1
_cell_volume   713.017
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.676  0.695  0.330  1.0
  Cs  Cs1  1  0.324  0.305  0.670  1.0
  Cs  Cs2  1  0.803  0.319  0.050  1.0
  Cs  Cs3  1  0.197  0.681  0.950  1.0
  Mo  Mo4  1  0.126  0.758  0.367  1.0
  Mo  Mo5  1  0.874  0.242  0.633  1.0
  Mo  Mo6  1  0.868  0.687  0.693  1.0
  Mo  Mo7  1  0.132  0.313  0.307  1.0
  As  As8  1  0.204  0.958  0.558  1.0
  As  As9  1  0.796  0.042  0.442  1.0
  As  As10  1  0.693  0.923  0.866  1.0
  As  As11  1  0.307  0.077  0.134  1.0
  H  H12  1  0.492  0.871  0.611  1.0
  H  H13  1  0.508  0.129  0.389  1.0
  H  H14  1  0.679  0.001  0.032  1.0
  H  H15  1  0.321  0.999  0.968  1.0
  H  H16  1  0.472  0.537  0.181  1.0
  H  H17  1  0.528  0.463  0.819  1.0
  H  H18  1  0.518  0.694  0.067  1.0
  H  H19  1  0.482  0.306  0.933  1.0
  O  O20  1  0.090  0.846  0.542  1.0
  O  O21  1  0.910  0.154  0.458  1.0
  O  O22  1  0.299  0.090  0.404  1.0
  O  O23  1  0.701  0.910  0.596  1.0
  O  O24  1  0.079  0.035  0.677  1.0
  O  O25  1  0.921  0.965  0.323  1.0
  O  O26  1  0.386  0.828  0.619  1.0
  O  O27  1  0.614  0.172  0.381  1.0
  O  O28  1  0.692  0.099  0.739  1.0
  O  O29  1  0.308  0.901  0.261  1.0
  O  O30  1  0.857  0.789  0.818  1.0
  O  O31  1  0.143  0.211  0.182  1.0
  O  O32  1  0.480  0.879  0.925  1.0
  O  O33  1  0.520  0.121  0.075  1.0
  O  O34  1  0.771  0.923  0.995  1.0
  O  O35  1  0.229  0.077  0.005  1.0
  O  O36  1  0.036  0.550  0.761  1.0
  O  O37  1  0.964  0.450  0.239  1.0
  O  O38  1  0.671  0.609  0.777  1.0
  O  O39  1  0.329  0.391  0.223  1.0
  O  O40  1  0.099  0.724  0.236  1.0
  O  O41  1  0.901  0.276  0.764  1.0
  O  O42  1  0.294  0.615  0.430  1.0
  O  O43  1  0.706  0.385  0.570  1.0
  O  O44  1  0.921  0.677  0.516  1.0
  O  O45  1  0.079  0.323  0.484  1.0
  O  O46  1  0.570  0.599  0.131  1.0
  O  O47  1  0.430  0.401  0.869  1.0
[/CIF]
.
The crystal structure described by CsMoAsH2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(2), one O(11), one O(13), one O(14), one O(3), one O(4), one O(5), one O(8), one O(9), and two equivalent O(12) atoms. In the second Cs site, Cs(2) is bonded in a 13-coordinate geometry to one H(3), one H(4), one O(11), one O(14), one O(3), one O(4), one O(6), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(13), one O(3), and one O(5) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(2), one O(6), and one O(9) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one Cs(1), one O(7), and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(2) and one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Cs(2) and one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one As(1), and one H(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one Mo(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one As(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mo(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Cs(2), one Mo(2), and one As(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cs(2), one As(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cs(1), one Cs(2), one As(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to two equivalent Cs(2) and one Mo(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one Mo(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Cs(1), one Cs(2), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_CsMoAsH2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.787
_cell_length_b   9.924
_cell_length_c   11.012
_cell_angle_alpha   64.372
_cell_angle_beta   70.210
_cell_angle_gamma   73.762
_symmetry_Int_Tables_number   1
_cell_volume   713.017
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.676  0.695  0.330  1.0
  Cs  Cs1  1  0.324  0.305  0.670  1.0
  Cs  Cs2  1  0.803  0.319  0.050  1.0
  Cs  Cs3  1  0.197  0.681  0.950  1.0
  Mo  Mo4  1  0.126  0.758  0.367  1.0
  Mo  Mo5  1  0.874  0.242  0.633  1.0
  Mo  Mo6  1  0.868  0.687  0.693  1.0
  Mo  Mo7  1  0.132  0.313  0.307  1.0
  As  As8  1  0.204  0.958  0.558  1.0
  As  As9  1  0.796  0.042  0.442  1.0
  As  As10  1  0.693  0.923  0.866  1.0
  As  As11  1  0.307  0.077  0.134  1.0
  H  H12  1  0.492  0.871  0.611  1.0
  H  H13  1  0.508  0.129  0.389  1.0
  H  H14  1  0.679  0.001  0.032  1.0
  H  H15  1  0.321  0.999  0.968  1.0
  H  H16  1  0.472  0.537  0.181  1.0
  H  H17  1  0.528  0.463  0.819  1.0
  H  H18  1  0.518  0.694  0.067  1.0
  H  H19  1  0.482  0.306  0.933  1.0
  O  O20  1  0.090  0.846  0.542  1.0
  O  O21  1  0.910  0.154  0.458  1.0
  O  O22  1  0.299  0.090  0.404  1.0
  O  O23  1  0.701  0.910  0.596  1.0
  O  O24  1  0.079  0.035  0.677  1.0
  O  O25  1  0.921  0.965  0.323  1.0
  O  O26  1  0.386  0.828  0.619  1.0
  O  O27  1  0.614  0.172  0.381  1.0
  O  O28  1  0.692  0.099  0.739  1.0
  O  O29  1  0.308  0.901  0.261  1.0
  O  O30  1  0.857  0.789  0.818  1.0
  O  O31  1  0.143  0.211  0.182  1.0
  O  O32  1  0.480  0.879  0.925  1.0
  O  O33  1  0.520  0.121  0.075  1.0
  O  O34  1  0.771  0.923  0.995  1.0
  O  O35  1  0.229  0.077  0.005  1.0
  O  O36  1  0.036  0.550  0.761  1.0
  O  O37  1  0.964  0.450  0.239  1.0
  O  O38  1  0.671  0.609  0.777  1.0
  O  O39  1  0.329  0.391  0.223  1.0
  O  O40  1  0.099  0.724  0.236  1.0
  O  O41  1  0.901  0.276  0.764  1.0
  O  O42  1  0.294  0.615  0.430  1.0
  O  O43  1  0.706  0.385  0.570  1.0
  O  O44  1  0.921  0.677  0.516  1.0
  O  O45  1  0.079  0.323  0.484  1.0
  O  O46  1  0.570  0.599  0.131  1.0
  O  O47  1  0.430  0.401  0.869  1.0
[/CIF]
.