The material described by RbMo3Br7 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Br(7), one Br(8), two equivalent Br(11), and two equivalent Br(4) atoms to form distorted RbBr6 pentagonal pyramids that share  a cornercorner with one Mo(2)Br5 square pyramid,  a cornercorner with one Mo(5)Br5 square pyramid, corners with two equivalent Mo(3)Br5 square pyramids, corners with two equivalent Mo(4)Br5 square pyramids, and edges with two equivalent Rb(1)Br6 pentagonal pyramids. In the second Rb site, Rb(2) is bonded to one Br(3), one Br(6), two equivalent Br(1), and two equivalent Br(14) atoms to form distorted RbBr6 pentagonal pyramids that share  a cornercorner with one Mo(1)Br5 square pyramid,  a cornercorner with one Mo(3)Br5 square pyramid,  a cornercorner with one Mo(4)Br5 square pyramid,  a cornercorner with one Mo(6)Br5 square pyramid, corners with two equivalent Mo(5)Br5 square pyramids, edges with two equivalent Rb(2)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Br(1), one Br(12), one Br(2), one Br(5), and one Br(6) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(5)Br5 square pyramid. In the second Mo site, Mo(2) is bonded to one Br(10), one Br(12), one Br(2), one Br(7), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(1)Br6 pentagonal pyramid,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the third Mo site, Mo(3) is bonded to one Br(2), one Br(3), one Br(4), one Br(5), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid, corners with two equivalent Rb(1)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(5)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the fourth Mo site, Mo(4) is bonded to one Br(10), one Br(11), one Br(12), one Br(13), and one Br(6) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid, corners with two equivalent Rb(1)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(5)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the fifth Mo site, Mo(5) is bonded to one Br(13), one Br(3), one Br(5), one Br(6), and one Br(8) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(1)Br6 pentagonal pyramid, corners with two equivalent Rb(2)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the sixth Mo site, Mo(6) is bonded to one Br(10), one Br(13), one Br(14), one Br(3), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(5)Br5 square pyramid. There are fourteen inequivalent Br sites. In the first 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 second Br site, Br(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one Rb(2), one Mo(3), one Mo(5), and one Mo(6) atom. In the fourth Br site, Br(4) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(3) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Mo(5) atom. In the sixth Br site, Br(6) is bonded in a 4-coordinate geometry to one Rb(2), one Mo(1), one Mo(4), and one Mo(5) atom. In the seventh Br site, Br(7) is bonded in a bent 120 degrees geometry to one Rb(1) and one Mo(2) atom. In the eighth Br site, Br(8) is bonded in a bent 120 degrees geometry to one Rb(1) and one Mo(5) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(6) atom. In the tenth Br site, Br(10) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(4), and one Mo(6) atom. In the eleventh Br site, Br(11) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(4) atom. In the twelfth Br site, Br(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the thirteenth Br site, Br(13) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the fourteenth Br site, Br(14) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbMo3Br7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.976
_cell_length_b   12.976
_cell_length_c   9.870
_cell_angle_alpha   69.710
_cell_angle_beta   69.710
_cell_angle_gamma   74.875
_symmetry_Int_Tables_number   1
_cell_volume   1443.255
_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
  Rb  Rb0  1  0.566  0.434  0.249  1.0
  Rb  Rb1  1  0.958  0.044  0.492  1.0
  Rb  Rb2  1  0.434  0.566  0.749  1.0
  Rb  Rb3  1  0.044  0.958  0.992  1.0
  Mo  Mo4  1  0.347  0.045  0.055  1.0
  Mo  Mo5  1  0.513  0.067  0.132  1.0
  Mo  Mo6  1  0.133  0.516  0.347  1.0
  Mo  Mo7  1  0.484  0.868  0.154  1.0
  Mo  Mo8  1  0.045  0.347  0.555  1.0
  Mo  Mo9  1  0.067  0.513  0.632  1.0
  Mo  Mo10  1  0.934  0.486  0.369  1.0
  Mo  Mo11  1  0.956  0.652  0.446  1.0
  Mo  Mo12  1  0.516  0.133  0.847  1.0
  Mo  Mo13  1  0.868  0.484  0.654  1.0
  Mo  Mo14  1  0.486  0.934  0.869  1.0
  Mo  Mo15  1  0.652  0.956  0.946  1.0
  Br  Br16  1  0.129  0.110  0.133  1.0
  Br  Br17  1  0.377  0.244  0.032  1.0
  Br  Br18  1  0.022  0.655  0.160  1.0
  Br  Br19  1  0.322  0.538  0.131  1.0
  Br  Br20  1  0.111  0.351  0.271  1.0
  Br  Br21  1  0.317  0.847  0.076  1.0
  Br  Br22  1  0.531  0.161  0.315  1.0
  Br  Br23  1  0.840  0.467  0.186  1.0
  Br  Br24  1  0.110  0.129  0.633  1.0
  Br  Br25  1  0.153  0.683  0.425  1.0
  Br  Br26  1  0.244  0.377  0.532  1.0
  Br  Br27  1  0.649  0.890  0.229  1.0
  Br  Br28  1  0.462  0.678  0.368  1.0
  Br  Br29  1  0.344  0.979  0.339  1.0
  Br  Br30  1  0.655  0.022  0.660  1.0
  Br  Br31  1  0.538  0.322  0.631  1.0
  Br  Br32  1  0.351  0.111  0.771  1.0
  Br  Br33  1  0.757  0.623  0.469  1.0
  Br  Br34  1  0.847  0.317  0.576  1.0
  Br  Br35  1  0.892  0.871  0.363  1.0
  Br  Br36  1  0.161  0.531  0.815  1.0
  Br  Br37  1  0.467  0.840  0.686  1.0
  Br  Br38  1  0.683  0.153  0.925  1.0
  Br  Br39  1  0.890  0.649  0.729  1.0
  Br  Br40  1  0.678  0.462  0.868  1.0
  Br  Br41  1  0.979  0.344  0.839  1.0
  Br  Br42  1  0.623  0.757  0.969  1.0
  Br  Br43  1  0.871  0.892  0.863  1.0
[/CIF]
.
The material described by RbMo3Br7 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Br(7), one Br(8), two equivalent Br(11), and two equivalent Br(4) atoms to form distorted RbBr6 pentagonal pyramids that share  a cornercorner with one Mo(2)Br5 square pyramid,  a cornercorner with one Mo(5)Br5 square pyramid, corners with two equivalent Mo(3)Br5 square pyramids, corners with two equivalent Mo(4)Br5 square pyramids, and edges with two equivalent Rb(1)Br6 pentagonal pyramids. In the second Rb site, Rb(2) is bonded to one Br(3), one Br(6), two equivalent Br(1), and two equivalent Br(14) atoms to form distorted RbBr6 pentagonal pyramids that share  a cornercorner with one Mo(1)Br5 square pyramid,  a cornercorner with one Mo(3)Br5 square pyramid,  a cornercorner with one Mo(4)Br5 square pyramid,  a cornercorner with one Mo(6)Br5 square pyramid, corners with two equivalent Mo(5)Br5 square pyramids, edges with two equivalent Rb(2)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Br(1), one Br(12), one Br(2), one Br(5), and one Br(6) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(5)Br5 square pyramid. In the second Mo site, Mo(2) is bonded to one Br(10), one Br(12), one Br(2), one Br(7), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(1)Br6 pentagonal pyramid,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the third Mo site, Mo(3) is bonded to one Br(2), one Br(3), one Br(4), one Br(5), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid, corners with two equivalent Rb(1)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(5)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the fourth Mo site, Mo(4) is bonded to one Br(10), one Br(11), one Br(12), one Br(13), and one Br(6) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid, corners with two equivalent Rb(1)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(5)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the fifth Mo site, Mo(5) is bonded to one Br(13), one Br(3), one Br(5), one Br(6), and one Br(8) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(1)Br6 pentagonal pyramid, corners with two equivalent Rb(2)Br6 pentagonal pyramids,  an edgeedge with one Mo(1)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(6)Br5 square pyramid. In the sixth Mo site, Mo(6) is bonded to one Br(10), one Br(13), one Br(14), one Br(3), and one Br(9) atom to form distorted MoBr5 square pyramids that share  a cornercorner with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Rb(2)Br6 pentagonal pyramid,  an edgeedge with one Mo(2)Br5 square pyramid,  an edgeedge with one Mo(3)Br5 square pyramid,  an edgeedge with one Mo(4)Br5 square pyramid, and  an edgeedge with one Mo(5)Br5 square pyramid. There are fourteen inequivalent Br sites. In the first 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 second Br site, Br(2) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one Rb(2), one Mo(3), one Mo(5), and one Mo(6) atom. In the fourth Br site, Br(4) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(3) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Mo(5) atom. In the sixth Br site, Br(6) is bonded in a 4-coordinate geometry to one Rb(2), one Mo(1), one Mo(4), and one Mo(5) atom. In the seventh Br site, Br(7) is bonded in a bent 120 degrees geometry to one Rb(1) and one Mo(2) atom. In the eighth Br site, Br(8) is bonded in a bent 120 degrees geometry to one Rb(1) and one Mo(5) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(6) atom. In the tenth Br site, Br(10) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(4), and one Mo(6) atom. In the eleventh Br site, Br(11) is bonded in a distorted trigonal planar geometry to two equivalent Rb(1) and one Mo(4) atom. In the twelfth Br site, Br(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(4) atom. In the thirteenth Br site, Br(13) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Mo(6) atom. In the fourteenth Br site, Br(14) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Rb(2) and one Mo(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbMo3Br7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.976
_cell_length_b   12.976
_cell_length_c   9.870
_cell_angle_alpha   69.710
_cell_angle_beta   69.710
_cell_angle_gamma   74.875
_symmetry_Int_Tables_number   1
_cell_volume   1443.255
_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
  Rb  Rb0  1  0.566  0.434  0.249  1.0
  Rb  Rb1  1  0.958  0.044  0.492  1.0
  Rb  Rb2  1  0.434  0.566  0.749  1.0
  Rb  Rb3  1  0.044  0.958  0.992  1.0
  Mo  Mo4  1  0.347  0.045  0.055  1.0
  Mo  Mo5  1  0.513  0.067  0.132  1.0
  Mo  Mo6  1  0.133  0.516  0.347  1.0
  Mo  Mo7  1  0.484  0.868  0.154  1.0
  Mo  Mo8  1  0.045  0.347  0.555  1.0
  Mo  Mo9  1  0.067  0.513  0.632  1.0
  Mo  Mo10  1  0.934  0.486  0.369  1.0
  Mo  Mo11  1  0.956  0.652  0.446  1.0
  Mo  Mo12  1  0.516  0.133  0.847  1.0
  Mo  Mo13  1  0.868  0.484  0.654  1.0
  Mo  Mo14  1  0.486  0.934  0.869  1.0
  Mo  Mo15  1  0.652  0.956  0.946  1.0
  Br  Br16  1  0.129  0.110  0.133  1.0
  Br  Br17  1  0.377  0.244  0.032  1.0
  Br  Br18  1  0.022  0.655  0.160  1.0
  Br  Br19  1  0.322  0.538  0.131  1.0
  Br  Br20  1  0.111  0.351  0.271  1.0
  Br  Br21  1  0.317  0.847  0.076  1.0
  Br  Br22  1  0.531  0.161  0.315  1.0
  Br  Br23  1  0.840  0.467  0.186  1.0
  Br  Br24  1  0.110  0.129  0.633  1.0
  Br  Br25  1  0.153  0.683  0.425  1.0
  Br  Br26  1  0.244  0.377  0.532  1.0
  Br  Br27  1  0.649  0.890  0.229  1.0
  Br  Br28  1  0.462  0.678  0.368  1.0
  Br  Br29  1  0.344  0.979  0.339  1.0
  Br  Br30  1  0.655  0.022  0.660  1.0
  Br  Br31  1  0.538  0.322  0.631  1.0
  Br  Br32  1  0.351  0.111  0.771  1.0
  Br  Br33  1  0.757  0.623  0.469  1.0
  Br  Br34  1  0.847  0.317  0.576  1.0
  Br  Br35  1  0.892  0.871  0.363  1.0
  Br  Br36  1  0.161  0.531  0.815  1.0
  Br  Br37  1  0.467  0.840  0.686  1.0
  Br  Br38  1  0.683  0.153  0.925  1.0
  Br  Br39  1  0.890  0.649  0.729  1.0
  Br  Br40  1  0.678  0.462  0.868  1.0
  Br  Br41  1  0.979  0.344  0.839  1.0
  Br  Br42  1  0.623  0.757  0.969  1.0
  Br  Br43  1  0.871  0.892  0.863  1.0
[/CIF]
.