The compound described by CsYb2Cl7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and face-sharing YbCl7 hexagonal pyramids. In the second Yb site, Yb(2) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and face-sharing YbCl7 hexagonal pyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded to two equivalent Cs(1), one Yb(1), and one Yb(2) atom to form corner-sharing ClCs2Yb2 tetrahedra. In the second Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Cs(1), one Yb(1), and one Yb(2) atom. In the third Cl site, Cl(2) is bonded in a distorted water-like geometry to one Cs(1), one Yb(1), and one Yb(2) atom. In the fourth Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Cs(1), one Yb(1), and one Yb(2) atom. is represented by the CIF card [CIF]
data_CsYb2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   16.023
_cell_length_c   14.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1306.044
_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
  Cs  Cs0  1  0.750  0.978  0.200  1.0
  Cs  Cs1  1  0.250  0.022  0.800  1.0
  Cs  Cs2  1  0.250  0.522  0.700  1.0
  Cs  Cs3  1  0.750  0.478  0.300  1.0
  Yb  Yb4  1  0.750  0.764  0.553  1.0
  Yb  Yb5  1  0.250  0.236  0.447  1.0
  Yb  Yb6  1  0.250  0.736  0.053  1.0
  Yb  Yb7  1  0.750  0.264  0.947  1.0
  Yb  Yb8  1  0.750  0.751  0.832  1.0
  Yb  Yb9  1  0.250  0.249  0.168  1.0
  Yb  Yb10  1  0.250  0.749  0.332  1.0
  Yb  Yb11  1  0.750  0.251  0.668  1.0
  Cl  Cl12  1  0.002  0.839  0.696  1.0
  Cl  Cl13  1  0.998  0.161  0.304  1.0
  Cl  Cl14  1  0.998  0.661  0.196  1.0
  Cl  Cl15  1  0.502  0.161  0.304  1.0
  Cl  Cl16  1  0.002  0.339  0.804  1.0
  Cl  Cl17  1  0.498  0.839  0.696  1.0
  Cl  Cl18  1  0.498  0.339  0.804  1.0
  Cl  Cl19  1  0.502  0.661  0.196  1.0
  Cl  Cl20  1  0.999  0.865  0.432  1.0
  Cl  Cl21  1  0.001  0.135  0.568  1.0
  Cl  Cl22  1  0.001  0.635  0.932  1.0
  Cl  Cl23  1  0.499  0.135  0.568  1.0
  Cl  Cl24  1  0.999  0.365  0.068  1.0
  Cl  Cl25  1  0.501  0.865  0.432  1.0
  Cl  Cl26  1  0.501  0.365  0.068  1.0
  Cl  Cl27  1  0.499  0.635  0.932  1.0
  Cl  Cl28  1  0.998  0.855  0.953  1.0
  Cl  Cl29  1  0.002  0.145  0.047  1.0
  Cl  Cl30  1  0.002  0.645  0.453  1.0
  Cl  Cl31  1  0.498  0.145  0.047  1.0
  Cl  Cl32  1  0.998  0.355  0.547  1.0
  Cl  Cl33  1  0.502  0.855  0.953  1.0
  Cl  Cl34  1  0.502  0.355  0.547  1.0
  Cl  Cl35  1  0.498  0.645  0.453  1.0
  Cl  Cl36  1  0.750  0.640  0.688  1.0
  Cl  Cl37  1  0.250  0.360  0.312  1.0
  Cl  Cl38  1  0.250  0.860  0.188  1.0
  Cl  Cl39  1  0.750  0.140  0.812  1.0
[/CIF]
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The compound described by CsYb2Cl7 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and face-sharing YbCl7 hexagonal pyramids. In the second Yb site, Yb(2) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and face-sharing YbCl7 hexagonal pyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded to two equivalent Cs(1), one Yb(1), and one Yb(2) atom to form corner-sharing ClCs2Yb2 tetrahedra. In the second Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Cs(1), one Yb(1), and one Yb(2) atom. In the third Cl site, Cl(2) is bonded in a distorted water-like geometry to one Cs(1), one Yb(1), and one Yb(2) atom. In the fourth Cl site, Cl(3) is bonded in a 3-coordinate geometry to one Cs(1), one Yb(1), and one Yb(2) atom. is represented by the CIF card [CIF]
data_CsYb2Cl7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   16.023
_cell_length_c   14.173
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1306.044
_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
  Cs  Cs0  1  0.750  0.978  0.200  1.0
  Cs  Cs1  1  0.250  0.022  0.800  1.0
  Cs  Cs2  1  0.250  0.522  0.700  1.0
  Cs  Cs3  1  0.750  0.478  0.300  1.0
  Yb  Yb4  1  0.750  0.764  0.553  1.0
  Yb  Yb5  1  0.250  0.236  0.447  1.0
  Yb  Yb6  1  0.250  0.736  0.053  1.0
  Yb  Yb7  1  0.750  0.264  0.947  1.0
  Yb  Yb8  1  0.750  0.751  0.832  1.0
  Yb  Yb9  1  0.250  0.249  0.168  1.0
  Yb  Yb10  1  0.250  0.749  0.332  1.0
  Yb  Yb11  1  0.750  0.251  0.668  1.0
  Cl  Cl12  1  0.002  0.839  0.696  1.0
  Cl  Cl13  1  0.998  0.161  0.304  1.0
  Cl  Cl14  1  0.998  0.661  0.196  1.0
  Cl  Cl15  1  0.502  0.161  0.304  1.0
  Cl  Cl16  1  0.002  0.339  0.804  1.0
  Cl  Cl17  1  0.498  0.839  0.696  1.0
  Cl  Cl18  1  0.498  0.339  0.804  1.0
  Cl  Cl19  1  0.502  0.661  0.196  1.0
  Cl  Cl20  1  0.999  0.865  0.432  1.0
  Cl  Cl21  1  0.001  0.135  0.568  1.0
  Cl  Cl22  1  0.001  0.635  0.932  1.0
  Cl  Cl23  1  0.499  0.135  0.568  1.0
  Cl  Cl24  1  0.999  0.365  0.068  1.0
  Cl  Cl25  1  0.501  0.865  0.432  1.0
  Cl  Cl26  1  0.501  0.365  0.068  1.0
  Cl  Cl27  1  0.499  0.635  0.932  1.0
  Cl  Cl28  1  0.998  0.855  0.953  1.0
  Cl  Cl29  1  0.002  0.145  0.047  1.0
  Cl  Cl30  1  0.002  0.645  0.453  1.0
  Cl  Cl31  1  0.498  0.145  0.047  1.0
  Cl  Cl32  1  0.998  0.355  0.547  1.0
  Cl  Cl33  1  0.502  0.855  0.953  1.0
  Cl  Cl34  1  0.502  0.355  0.547  1.0
  Cl  Cl35  1  0.498  0.645  0.453  1.0
  Cl  Cl36  1  0.750  0.640  0.688  1.0
  Cl  Cl37  1  0.250  0.360  0.312  1.0
  Cl  Cl38  1  0.250  0.860  0.188  1.0
  Cl  Cl39  1  0.750  0.140  0.812  1.0
[/CIF]
.