The material described by Rb5Mo2OBr9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted single-bond geometry to one O(1), one Br(4), one Br(7), two equivalent Br(5), and two equivalent Br(6) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), one Br(7), and two equivalent Br(6) atoms. In the third Rb site, Rb(3) is bonded in a distorted single-bond geometry to one O(1), one Br(2), one Br(3), one Br(4), one Br(6), one Br(7), and two equivalent Br(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Br(1), one Br(3), one Br(7), and two equivalent Br(5) atoms to form corner-sharing MoBr5 square pyramids. In the second Mo site, Mo(2) is bonded to one Br(2), one Br(3), one Br(4), and two equivalent Br(6) atoms to form corner-sharing MoBr5 square pyramids. O(1) is bonded in a trigonal non-coplanar geometry to one Rb(1) and two equivalent Rb(3) atoms. There are seven inequivalent Br sites. In the first Br site, Br(3) is bonded in a 6-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), one Mo(1), and one Mo(2) atom. In the second Br site, Br(4) is bonded in a distorted octahedral geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Mo(2) atom. In the third Br site, Br(5) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Mo(1) atom. In the fourth Br site, Br(6) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Mo(2) atom. In the fifth Br site, Br(7) is bonded in a 6-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Mo(1) atom. In the sixth Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(1) atom. In the seventh Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Rb5Mo2Br9O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.510
_cell_length_b   9.510
_cell_length_c   14.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.358
_symmetry_Int_Tables_number   1
_cell_volume   1255.207
_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
  Rb  Rb0  1  0.371  0.629  0.757  1.0
  Rb  Rb1  1  0.629  0.371  0.257  1.0
  Rb  Rb2  1  0.936  0.556  0.916  1.0
  Rb  Rb3  1  0.064  0.444  0.416  1.0
  Rb  Rb4  1  0.556  0.936  0.416  1.0
  Rb  Rb5  1  0.444  0.064  0.916  1.0
  Rb  Rb6  1  0.776  0.686  0.617  1.0
  Rb  Rb7  1  0.224  0.314  0.117  1.0
  Rb  Rb8  1  0.686  0.776  0.117  1.0
  Rb  Rb9  1  0.314  0.224  0.617  1.0
  Mo  Mo10  1  0.960  0.040  0.875  1.0
  Mo  Mo11  1  0.040  0.960  0.375  1.0
  Mo  Mo12  1  0.776  0.224  0.653  1.0
  Mo  Mo13  1  0.224  0.776  0.153  1.0
  Br  Br14  1  0.821  0.179  0.982  1.0
  Br  Br15  1  0.179  0.821  0.482  1.0
  Br  Br16  1  0.647  0.353  0.768  1.0
  Br  Br17  1  0.353  0.647  0.268  1.0
  Br  Br18  1  0.922  0.078  0.559  1.0
  Br  Br19  1  0.078  0.922  0.059  1.0
  Br  Br20  1  0.683  0.317  0.507  1.0
  Br  Br21  1  0.317  0.683  0.007  1.0
  Br  Br22  1  0.202  0.284  0.872  1.0
  Br  Br23  1  0.798  0.716  0.372  1.0
  Br  Br24  1  0.284  0.202  0.372  1.0
  Br  Br25  1  0.716  0.798  0.872  1.0
  Br  Br26  1  0.019  0.456  0.663  1.0
  Br  Br27  1  0.981  0.544  0.163  1.0
  Br  Br28  1  0.456  0.019  0.163  1.0
  Br  Br29  1  0.544  0.981  0.663  1.0
  Br  Br30  1  0.893  0.107  0.278  1.0
  Br  Br31  1  0.107  0.893  0.777  1.0
  O  O32  1  0.467  0.533  0.606  1.0
  O  O33  1  0.533  0.467  0.106  1.0
[/CIF]
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The material described by Rb5Mo2OBr9 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted single-bond geometry to one O(1), one Br(4), one Br(7), two equivalent Br(5), and two equivalent Br(6) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), one Br(7), and two equivalent Br(6) atoms. In the third Rb site, Rb(3) is bonded in a distorted single-bond geometry to one O(1), one Br(2), one Br(3), one Br(4), one Br(6), one Br(7), and two equivalent Br(5) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Br(1), one Br(3), one Br(7), and two equivalent Br(5) atoms to form corner-sharing MoBr5 square pyramids. In the second Mo site, Mo(2) is bonded to one Br(2), one Br(3), one Br(4), and two equivalent Br(6) atoms to form corner-sharing MoBr5 square pyramids. O(1) is bonded in a trigonal non-coplanar geometry to one Rb(1) and two equivalent Rb(3) atoms. There are seven inequivalent Br sites. In the first Br site, Br(3) is bonded in a 6-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), one Mo(1), and one Mo(2) atom. In the second Br site, Br(4) is bonded in a distorted octahedral geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Mo(2) atom. In the third Br site, Br(5) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), and one Mo(1) atom. In the fourth Br site, Br(6) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), and one Mo(2) atom. In the fifth Br site, Br(7) is bonded in a 6-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), and one Mo(1) atom. In the sixth Br site, Br(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(1) atom. In the seventh Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Rb5Mo2Br9O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.510
_cell_length_b   9.510
_cell_length_c   14.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.358
_symmetry_Int_Tables_number   1
_cell_volume   1255.207
_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
  Rb  Rb0  1  0.371  0.629  0.757  1.0
  Rb  Rb1  1  0.629  0.371  0.257  1.0
  Rb  Rb2  1  0.936  0.556  0.916  1.0
  Rb  Rb3  1  0.064  0.444  0.416  1.0
  Rb  Rb4  1  0.556  0.936  0.416  1.0
  Rb  Rb5  1  0.444  0.064  0.916  1.0
  Rb  Rb6  1  0.776  0.686  0.617  1.0
  Rb  Rb7  1  0.224  0.314  0.117  1.0
  Rb  Rb8  1  0.686  0.776  0.117  1.0
  Rb  Rb9  1  0.314  0.224  0.617  1.0
  Mo  Mo10  1  0.960  0.040  0.875  1.0
  Mo  Mo11  1  0.040  0.960  0.375  1.0
  Mo  Mo12  1  0.776  0.224  0.653  1.0
  Mo  Mo13  1  0.224  0.776  0.153  1.0
  Br  Br14  1  0.821  0.179  0.982  1.0
  Br  Br15  1  0.179  0.821  0.482  1.0
  Br  Br16  1  0.647  0.353  0.768  1.0
  Br  Br17  1  0.353  0.647  0.268  1.0
  Br  Br18  1  0.922  0.078  0.559  1.0
  Br  Br19  1  0.078  0.922  0.059  1.0
  Br  Br20  1  0.683  0.317  0.507  1.0
  Br  Br21  1  0.317  0.683  0.007  1.0
  Br  Br22  1  0.202  0.284  0.872  1.0
  Br  Br23  1  0.798  0.716  0.372  1.0
  Br  Br24  1  0.284  0.202  0.372  1.0
  Br  Br25  1  0.716  0.798  0.872  1.0
  Br  Br26  1  0.019  0.456  0.663  1.0
  Br  Br27  1  0.981  0.544  0.163  1.0
  Br  Br28  1  0.456  0.019  0.163  1.0
  Br  Br29  1  0.544  0.981  0.663  1.0
  Br  Br30  1  0.893  0.107  0.278  1.0
  Br  Br31  1  0.107  0.893  0.777  1.0
  O  O32  1  0.467  0.533  0.606  1.0
  O  O33  1  0.533  0.467  0.106  1.0
[/CIF]
.