The structure described by Cs2CrH2OCl5 crystallizes in the monoclinic Pm space group. There are eight inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four Cl(4,4) and four Cl(5,5) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to four Cl(3,3) and four Cl(6,6) atoms. In the third Cs site, Cs(2) is bonded in a 8-coordinate geometry to four Cl(3,3) and four Cl(6,6) atoms. In the fourth Cs site, Cs(1) is bonded in a 8-coordinate geometry to four Cl(4,4) and four Cl(5,5) atoms. In the fifth Cs site, Cs(3) is bonded to one Cl(2); two equivalent Cl(3); two equivalent Cl(4); three Cl(1,1); and four Cl(5,5) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(1)Cl5O octahedra; and faces with three Cr(2,2)Cl5O octahedra. In the sixth Cs site, Cs(4) is bonded to one Cl(1); two equivalent Cl(3); two equivalent Cl(4); three Cl(2,2); and four Cl(6,6) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(2)Cl5O octahedra; and faces with three Cr(1,1)Cl5O octahedra. In the seventh Cs site, Cs(4) is bonded to one Cl(1); two equivalent Cl(3); two equivalent Cl(4); three Cl(2,2); and four Cl(6,6) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(2)Cl5O octahedra; and faces with three Cr(1,1)Cl5O octahedra. In the eighth Cs site, Cs(3) is bonded to one Cl(2); two equivalent Cl(3); two equivalent Cl(4); three Cl(1,1); and four Cl(5,5) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(1)Cl5O octahedra; and faces with three Cr(2,2)Cl5O octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one Cl(2), two equivalent Cl(4), and two equivalent Cl(6) atoms to form CrCl5O octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra and faces with three Cs(4,4)Cl12 cuboctahedra. In the second Cr site, Cr(1) is bonded to one O(2), one Cl(2), two equivalent Cl(4), and two equivalent Cl(6) atoms to form CrCl5O octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra and faces with three Cs(4,4)Cl12 cuboctahedra. In the third Cr site, Cr(2) is bonded to one O(1), one Cl(1), two equivalent Cl(3), and two equivalent Cl(5) atoms to form CrCl5O octahedra that share  a faceface with one Cs(4)Cl12 cuboctahedra and faces with three Cs(3,3)Cl12 cuboctahedra. In the fourth Cr site, Cr(2) is bonded to one O(1), one Cl(1), two equivalent Cl(3), and two equivalent Cl(5) atoms to form CrCl5O octahedra that share  a faceface with one Cs(4)Cl12 cuboctahedra and faces with three Cs(3,3)Cl12 cuboctahedra. There are three 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 single-bond geometry to one O(2) atom. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(2) atoms. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(2) atoms. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent H(1) atoms. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(4); three Cs(3,3); and one Cr(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cs(3); three Cs(4,4); and one Cr(1) atom. In the third Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(3); three Cs(4,4); and one Cr(1) atom. In the fourth Cl site, Cl(1) is bonded in a single-bond geometry to one Cs(4); three Cs(3,3); and one Cr(2) atom. In the fifth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(2,2); and one Cr(2) atom. In the sixth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(1,1); and one Cr(1) atom. In the seventh Cl site, Cl(5) is bonded in a distorted single-bond geometry to two Cs(1,1); two Cs(3,3); and one Cr(2) atom. In the eighth Cl site, Cl(6) is bonded in a distorted single-bond geometry to two Cs(2,2); two Cs(4,4); and one Cr(1) atom. In the ninth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(1,1); and one Cr(1) atom. In the tenth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(2,2); and one Cr(2) atom. In the eleventh Cl site, Cl(6) is bonded in a distorted single-bond geometry to two Cs(2,2); two Cs(4,4); and one Cr(1) atom. In the twelfth Cl site, Cl(5) is bonded in a distorted single-bond geometry to two Cs(1,1); two Cs(3,3); and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2CrH2Cl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.501
_cell_length_b   8.164
_cell_length_c   9.767
_cell_angle_alpha   89.985
_cell_angle_beta   67.421
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   552.263
_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
  Cl  Cl0  1  0.756  0.250  0.487  1.0
  Cl  Cl1  1  0.243  0.750  0.513  1.0
  Cl  Cl2  1  0.669  0.460  0.218  1.0
  Cl  Cl3  1  0.887  0.540  0.782  1.0
  Cl  Cl4  1  0.331  0.960  0.782  1.0
  Cl  Cl5  1  0.112  0.040  0.218  1.0
  Cl  Cl6  1  0.331  0.540  0.782  1.0
  Cl  Cl7  1  0.112  0.460  0.218  1.0
  Cl  Cl8  1  0.669  0.040  0.218  1.0
  Cl  Cl9  1  0.887  0.960  0.782  1.0
  Cr  Cr10  1  0.887  0.250  0.227  1.0
  Cr  Cr11  1  0.113  0.750  0.773  1.0
  Cs  Cs12  1  0.528  0.250  0.945  1.0
  Cs  Cs13  1  0.473  0.750  0.055  1.0
  Cs  Cs14  1  0.751  0.750  0.499  1.0
  Cs  Cs15  1  0.249  0.250  0.501  1.0
  H  H16  1  0.035  0.348  0.929  1.0
  H  H17  1  0.966  0.652  0.071  1.0
  H  H18  1  0.966  0.848  0.071  1.0
  H  H19  1  0.035  0.152  0.929  1.0
  O  O20  1  0.006  0.250  0.992  1.0
  O  O21  1  0.993  0.750  0.008  1.0
[/CIF]
.
The structure described by Cs2CrH2OCl5 crystallizes in the monoclinic Pm space group. There are eight inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to four Cl(4,4) and four Cl(5,5) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to four Cl(3,3) and four Cl(6,6) atoms. In the third Cs site, Cs(2) is bonded in a 8-coordinate geometry to four Cl(3,3) and four Cl(6,6) atoms. In the fourth Cs site, Cs(1) is bonded in a 8-coordinate geometry to four Cl(4,4) and four Cl(5,5) atoms. In the fifth Cs site, Cs(3) is bonded to one Cl(2); two equivalent Cl(3); two equivalent Cl(4); three Cl(1,1); and four Cl(5,5) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(1)Cl5O octahedra; and faces with three Cr(2,2)Cl5O octahedra. In the sixth Cs site, Cs(4) is bonded to one Cl(1); two equivalent Cl(3); two equivalent Cl(4); three Cl(2,2); and four Cl(6,6) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(2)Cl5O octahedra; and faces with three Cr(1,1)Cl5O octahedra. In the seventh Cs site, Cs(4) is bonded to one Cl(1); two equivalent Cl(3); two equivalent Cl(4); three Cl(2,2); and four Cl(6,6) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(2)Cl5O octahedra; and faces with three Cr(1,1)Cl5O octahedra. In the eighth Cs site, Cs(3) is bonded to one Cl(2); two equivalent Cl(3); two equivalent Cl(4); three Cl(1,1); and four Cl(5,5) atoms to form distorted CsCl12 cuboctahedra that share corners with two equivalent Cs(3)Cl12 cuboctahedra; corners with two equivalent Cs(4)Cl12 cuboctahedra; faces with two equivalent Cs(3)Cl12 cuboctahedra; faces with two equivalent Cs(4)Cl12 cuboctahedra;  a faceface with one Cr(1)Cl5O octahedra; and faces with three Cr(2,2)Cl5O octahedra. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one Cl(2), two equivalent Cl(4), and two equivalent Cl(6) atoms to form CrCl5O octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra and faces with three Cs(4,4)Cl12 cuboctahedra. In the second Cr site, Cr(1) is bonded to one O(2), one Cl(2), two equivalent Cl(4), and two equivalent Cl(6) atoms to form CrCl5O octahedra that share  a faceface with one Cs(3)Cl12 cuboctahedra and faces with three Cs(4,4)Cl12 cuboctahedra. In the third Cr site, Cr(2) is bonded to one O(1), one Cl(1), two equivalent Cl(3), and two equivalent Cl(5) atoms to form CrCl5O octahedra that share  a faceface with one Cs(4)Cl12 cuboctahedra and faces with three Cs(3,3)Cl12 cuboctahedra. In the fourth Cr site, Cr(2) is bonded to one O(1), one Cl(1), two equivalent Cl(3), and two equivalent Cl(5) atoms to form CrCl5O octahedra that share  a faceface with one Cs(4)Cl12 cuboctahedra and faces with three Cs(3,3)Cl12 cuboctahedra. There are three 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 single-bond geometry to one O(2) atom. In the third H site, H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(2) atoms. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent H(2) atoms. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(2) and two equivalent H(1) atoms. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Cs(4); three Cs(3,3); and one Cr(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cs(3); three Cs(4,4); and one Cr(1) atom. In the third Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(3); three Cs(4,4); and one Cr(1) atom. In the fourth Cl site, Cl(1) is bonded in a single-bond geometry to one Cs(4); three Cs(3,3); and one Cr(2) atom. In the fifth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(2,2); and one Cr(2) atom. In the sixth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(1,1); and one Cr(1) atom. In the seventh Cl site, Cl(5) is bonded in a distorted single-bond geometry to two Cs(1,1); two Cs(3,3); and one Cr(2) atom. In the eighth Cl site, Cl(6) is bonded in a distorted single-bond geometry to two Cs(2,2); two Cs(4,4); and one Cr(1) atom. In the ninth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(1,1); and one Cr(1) atom. In the tenth Cl site, Cl(3) is bonded in a distorted single-bond geometry to one Cs(3); one Cs(4); two Cs(2,2); and one Cr(2) atom. In the eleventh Cl site, Cl(6) is bonded in a distorted single-bond geometry to two Cs(2,2); two Cs(4,4); and one Cr(1) atom. In the twelfth Cl site, Cl(5) is bonded in a distorted single-bond geometry to two Cs(1,1); two Cs(3,3); and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2CrH2Cl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.501
_cell_length_b   8.164
_cell_length_c   9.767
_cell_angle_alpha   89.985
_cell_angle_beta   67.421
_cell_angle_gamma   89.994
_symmetry_Int_Tables_number   1
_cell_volume   552.263
_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
  Cl  Cl0  1  0.756  0.250  0.487  1.0
  Cl  Cl1  1  0.243  0.750  0.513  1.0
  Cl  Cl2  1  0.669  0.460  0.218  1.0
  Cl  Cl3  1  0.887  0.540  0.782  1.0
  Cl  Cl4  1  0.331  0.960  0.782  1.0
  Cl  Cl5  1  0.112  0.040  0.218  1.0
  Cl  Cl6  1  0.331  0.540  0.782  1.0
  Cl  Cl7  1  0.112  0.460  0.218  1.0
  Cl  Cl8  1  0.669  0.040  0.218  1.0
  Cl  Cl9  1  0.887  0.960  0.782  1.0
  Cr  Cr10  1  0.887  0.250  0.227  1.0
  Cr  Cr11  1  0.113  0.750  0.773  1.0
  Cs  Cs12  1  0.528  0.250  0.945  1.0
  Cs  Cs13  1  0.473  0.750  0.055  1.0
  Cs  Cs14  1  0.751  0.750  0.499  1.0
  Cs  Cs15  1  0.249  0.250  0.501  1.0
  H  H16  1  0.035  0.348  0.929  1.0
  H  H17  1  0.966  0.652  0.071  1.0
  H  H18  1  0.966  0.848  0.071  1.0
  H  H19  1  0.035  0.152  0.929  1.0
  O  O20  1  0.006  0.250  0.992  1.0
  O  O21  1  0.993  0.750  0.008  1.0
[/CIF]
.