The material described by Ca3Rh8B6 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 17-coordinate geometry to one Ca(2), two equivalent Rh(2), four equivalent Rh(1), four equivalent Rh(3), and six equivalent B(1) atoms. In the second Ca site, Ca(2) is bonded in a 20-coordinate geometry to two equivalent Ca(1), four equivalent Rh(2), eight equivalent Rh(1), and six equivalent B(2) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted square co-planar geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Rh site, Rh(2) is bonded in a distorted square co-planar geometry to two equivalent Ca(1); two equivalent Ca(2); two equivalent B(1); and two B(2,2) atoms. In the third Rh site, Rh(3) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Rh(2), two equivalent Rh(1), and two equivalent Rh(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Ca(2), two equivalent Rh(2), and four equivalent Rh(1) atoms. In the third B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Ca(2), two equivalent Rh(2), and four equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ca3(B3Rh4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.593
_cell_length_c   8.943
_cell_angle_alpha   81.288
_cell_angle_beta   72.075
_cell_angle_gamma   60.518
_symmetry_Int_Tables_number   1
_cell_volume   228.030
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.682  0.000  0.636  1.0
  Ca  Ca1  1  0.318  0.000  0.364  1.0
  Ca  Ca2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.331  0.680  0.658  1.0
  B  B4  1  0.011  0.320  0.658  1.0
  B  B5  1  0.669  0.320  0.342  1.0
  B  B6  1  0.989  0.680  0.342  1.0
  B  B7  1  0.833  0.333  0.000  1.0
  B  B8  1  0.167  0.667  0.000  1.0
  Rh  Rh9  1  0.415  0.500  0.170  1.0
  Rh  Rh10  1  0.086  0.000  0.827  1.0
  Rh  Rh11  1  0.585  0.500  0.830  1.0
  Rh  Rh12  1  0.915  0.500  0.170  1.0
  Rh  Rh13  1  0.085  0.500  0.830  1.0
  Rh  Rh14  1  0.750  0.500  0.500  1.0
  Rh  Rh15  1  0.914  0.000  0.173  1.0
  Rh  Rh16  1  0.250  0.500  0.500  1.0
[/CIF]
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The material described by Ca3Rh8B6 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 17-coordinate geometry to one Ca(2), two equivalent Rh(2), four equivalent Rh(1), four equivalent Rh(3), and six equivalent B(1) atoms. In the second Ca site, Ca(2) is bonded in a 20-coordinate geometry to two equivalent Ca(1), four equivalent Rh(2), eight equivalent Rh(1), and six equivalent B(2) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a distorted square co-planar geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent B(1), and two equivalent B(2) atoms. In the second Rh site, Rh(2) is bonded in a distorted square co-planar geometry to two equivalent Ca(1); two equivalent Ca(2); two equivalent B(1); and two B(2,2) atoms. In the third Rh site, Rh(3) is bonded in a 4-coordinate geometry to four equivalent Ca(1) and four equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Rh(2), two equivalent Rh(1), and two equivalent Rh(3) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Ca(2), two equivalent Rh(2), and four equivalent Rh(1) atoms. In the third B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Ca(2), two equivalent Rh(2), and four equivalent Rh(1) atoms. is represented by the CIF file [CIF]
data_Ca3(B3Rh4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.593
_cell_length_c   8.943
_cell_angle_alpha   81.288
_cell_angle_beta   72.075
_cell_angle_gamma   60.518
_symmetry_Int_Tables_number   1
_cell_volume   228.030
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.682  0.000  0.636  1.0
  Ca  Ca1  1  0.318  0.000  0.364  1.0
  Ca  Ca2  1  0.500  0.000  0.000  1.0
  B  B3  1  0.331  0.680  0.658  1.0
  B  B4  1  0.011  0.320  0.658  1.0
  B  B5  1  0.669  0.320  0.342  1.0
  B  B6  1  0.989  0.680  0.342  1.0
  B  B7  1  0.833  0.333  0.000  1.0
  B  B8  1  0.167  0.667  0.000  1.0
  Rh  Rh9  1  0.415  0.500  0.170  1.0
  Rh  Rh10  1  0.086  0.000  0.827  1.0
  Rh  Rh11  1  0.585  0.500  0.830  1.0
  Rh  Rh12  1  0.915  0.500  0.170  1.0
  Rh  Rh13  1  0.085  0.500  0.830  1.0
  Rh  Rh14  1  0.750  0.500  0.500  1.0
  Rh  Rh15  1  0.914  0.000  0.173  1.0
  Rh  Rh16  1  0.250  0.500  0.500  1.0
[/CIF]
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