The structure described by Cs2MoN(OCl2)2 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent N(1), two equivalent O(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form distorted CsN2Cl8O2 cuboctahedra that share edges with two equivalent Cs(1)N2Cl8O2 cuboctahedra, edges with two equivalent Mo(2)NCl4O octahedra, and faces with two equivalent Mo(1)NCl4O octahedra. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent N(2), two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. In the third Cs site, Cs(3) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to one O(2), one O(4), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one O(3), one Cl(1), one Cl(3), one Cl(6), and one Cl(8) atom to form distorted MoNCl4O octahedra that share faces with two equivalent Cs(1)N2Cl8O2 cuboctahedra. In the second Mo site, Mo(2) is bonded to one N(2), one O(4), one Cl(2), one Cl(4), one Cl(5), and one Cl(7) atom to form distorted MoNCl4O octahedra that share edges with two equivalent Cs(1)N2Cl8O2 cuboctahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cs(1), one Mo(1), and one O(1) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent Cs(2), one Mo(2), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(2), and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cs(4) and one Mo(2) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the eighth Cl site, Cl(8) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Cs2MoN(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.562
_cell_length_b   9.535
_cell_length_c   8.697
_cell_angle_alpha   89.985
_cell_angle_beta   90.047
_cell_angle_gamma   46.268
_symmetry_Int_Tables_number   1
_cell_volume   572.945
_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
  Cs  Cs0  1  0.238  0.237  0.247  1.0
  Cs  Cs1  1  0.762  0.767  0.749  1.0
  Cs  Cs2  1  0.526  0.520  0.247  1.0
  Cs  Cs3  1  0.474  0.481  0.747  1.0
  Mo  Mo4  1  0.893  0.896  0.249  1.0
  Mo  Mo5  1  0.106  0.104  0.748  1.0
  N  N6  1  0.774  0.774  0.248  1.0
  N  N7  1  0.225  0.226  0.747  1.0
  Cl  Cl8  1  0.115  0.646  0.449  1.0
  Cl  Cl9  1  0.353  0.885  0.547  1.0
  Cl  Cl10  1  0.113  0.651  0.047  1.0
  Cl  Cl11  1  0.355  0.885  0.949  1.0
  Cl  Cl12  1  0.884  0.351  0.547  1.0
  Cl  Cl13  1  0.647  0.114  0.452  1.0
  Cl  Cl14  1  0.886  0.350  0.949  1.0
  Cl  Cl15  1  0.646  0.118  0.048  1.0
  O  O16  1  0.704  0.707  0.247  1.0
  O  O17  1  0.299  0.290  0.746  1.0
  O  O18  1  0.989  0.997  0.251  1.0
  O  O19  1  0.012  0.001  0.749  1.0
[/CIF]
.
The structure described by Cs2MoN(OCl2)2 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to two equivalent N(1), two equivalent O(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom to form distorted CsN2Cl8O2 cuboctahedra that share edges with two equivalent Cs(1)N2Cl8O2 cuboctahedra, edges with two equivalent Mo(2)NCl4O octahedra, and faces with two equivalent Mo(1)NCl4O octahedra. In the second Cs site, Cs(2) is bonded in a 12-coordinate geometry to two equivalent N(2), two equivalent O(2), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. In the third Cs site, Cs(3) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. In the fourth Cs site, Cs(4) is bonded in a 10-coordinate geometry to one O(2), one O(4), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one O(3), one Cl(1), one Cl(3), one Cl(6), and one Cl(8) atom to form distorted MoNCl4O octahedra that share faces with two equivalent Cs(1)N2Cl8O2 cuboctahedra. In the second Mo site, Mo(2) is bonded to one N(2), one O(4), one Cl(2), one Cl(4), one Cl(5), and one Cl(7) atom to form distorted MoNCl4O octahedra that share edges with two equivalent Cs(1)N2Cl8O2 cuboctahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to two equivalent Cs(1), one Mo(1), and one O(1) atom. In the second N site, N(2) is bonded in a linear geometry to two equivalent Cs(2), one Mo(2), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(3), two equivalent Cs(1), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(4), two equivalent Cs(2), and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cs(4) and one Mo(2) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the sixth Cl site, Cl(6) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. In the seventh Cl site, Cl(7) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(2) atom. In the eighth Cl site, Cl(8) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Cs2MoN(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.562
_cell_length_b   9.535
_cell_length_c   8.697
_cell_angle_alpha   89.985
_cell_angle_beta   90.047
_cell_angle_gamma   46.268
_symmetry_Int_Tables_number   1
_cell_volume   572.945
_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
  Cs  Cs0  1  0.238  0.237  0.247  1.0
  Cs  Cs1  1  0.762  0.767  0.749  1.0
  Cs  Cs2  1  0.526  0.520  0.247  1.0
  Cs  Cs3  1  0.474  0.481  0.747  1.0
  Mo  Mo4  1  0.893  0.896  0.249  1.0
  Mo  Mo5  1  0.106  0.104  0.748  1.0
  N  N6  1  0.774  0.774  0.248  1.0
  N  N7  1  0.225  0.226  0.747  1.0
  Cl  Cl8  1  0.115  0.646  0.449  1.0
  Cl  Cl9  1  0.353  0.885  0.547  1.0
  Cl  Cl10  1  0.113  0.651  0.047  1.0
  Cl  Cl11  1  0.355  0.885  0.949  1.0
  Cl  Cl12  1  0.884  0.351  0.547  1.0
  Cl  Cl13  1  0.647  0.114  0.452  1.0
  Cl  Cl14  1  0.886  0.350  0.949  1.0
  Cl  Cl15  1  0.646  0.118  0.048  1.0
  O  O16  1  0.704  0.707  0.247  1.0
  O  O17  1  0.299  0.290  0.746  1.0
  O  O18  1  0.989  0.997  0.251  1.0
  O  O19  1  0.012  0.001  0.749  1.0
[/CIF]
.