The material structure described by Rb4(ZnAs)7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent As(4) and four equivalent As(2) atoms. In the third Rb site, Rb(3) is bonded in a distorted body-centered cubic geometry to four equivalent As(1) and four equivalent As(3) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one As(2), one As(4), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. In the second Zn site, Zn(2) is bonded to one As(3) and three equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one As(4) and four equivalent As(1) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), one Zn(3), two equivalent Zn(4), and one As(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Zn(1), and three equivalent Zn(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Rb(2), one Zn(4), two equivalent Zn(1), and four equivalent Zn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4(ZnAs)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.547
_cell_length_b   12.577
_cell_length_c   17.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.415
_symmetry_Int_Tables_number   1
_cell_volume   974.857
_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  0.140  0.280  0.888  1.0
  Rb  Rb1  1  0.860  0.720  0.112  1.0
  Rb  Rb2  1  0.140  0.280  0.612  1.0
  Rb  Rb3  1  0.860  0.720  0.388  1.0
  Rb  Rb4  1  0.713  0.426  0.250  1.0
  Rb  Rb5  1  0.287  0.574  0.750  1.0
  Rb  Rb6  1  0.000  0.000  0.500  1.0
  Rb  Rb7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.148  0.297  0.391  1.0
  Zn  Zn9  1  0.852  0.703  0.609  1.0
  Zn  Zn10  1  0.148  0.297  0.109  1.0
  Zn  Zn11  1  0.852  0.703  0.891  1.0
  Zn  Zn12  1  0.284  0.568  0.969  1.0
  Zn  Zn13  1  0.716  0.432  0.031  1.0
  Zn  Zn14  1  0.284  0.568  0.531  1.0
  Zn  Zn15  1  0.716  0.432  0.469  1.0
  Zn  Zn16  1  0.574  0.148  0.329  1.0
  Zn  Zn17  1  0.426  0.852  0.671  1.0
  Zn  Zn18  1  0.574  0.148  0.171  1.0
  Zn  Zn19  1  0.426  0.852  0.829  1.0
  Zn  Zn20  1  0.003  0.005  0.250  1.0
  Zn  Zn21  1  0.997  0.995  0.750  1.0
  As  As22  1  0.472  0.944  0.320  1.0
  As  As23  1  0.528  0.056  0.680  1.0
  As  As24  1  0.472  0.944  0.180  1.0
  As  As25  1  0.528  0.056  0.820  1.0
  As  As26  1  0.249  0.499  0.395  1.0
  As  As27  1  0.751  0.501  0.605  1.0
  As  As28  1  0.249  0.499  0.105  1.0
  As  As29  1  0.751  0.501  0.895  1.0
  As  As30  1  0.614  0.229  0.459  1.0
  As  As31  1  0.386  0.771  0.541  1.0
  As  As32  1  0.614  0.229  0.041  1.0
  As  As33  1  0.386  0.771  0.959  1.0
  As  As34  1  0.105  0.211  0.250  1.0
  As  As35  1  0.895  0.789  0.750  1.0
[/CIF]
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The material structure described by Rb4(ZnAs)7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent As(4) and four equivalent As(2) atoms. In the third Rb site, Rb(3) is bonded in a distorted body-centered cubic geometry to four equivalent As(1) and four equivalent As(3) atoms. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one As(2), one As(4), and two equivalent As(3) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. In the second Zn site, Zn(2) is bonded to one As(3) and three equivalent As(2) atoms to form a mixture of distorted corner and edge-sharing ZnAs4 tetrahedra. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. In the fourth Zn site, Zn(4) is bonded in a 5-coordinate geometry to one As(4) and four equivalent As(1) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), one Zn(3), two equivalent Zn(4), and one As(1) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Zn(1), and three equivalent Zn(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to two equivalent Rb(2), one Zn(4), two equivalent Zn(1), and four equivalent Zn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb4(ZnAs)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.547
_cell_length_b   12.577
_cell_length_c   17.331
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   100.415
_symmetry_Int_Tables_number   1
_cell_volume   974.857
_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  0.140  0.280  0.888  1.0
  Rb  Rb1  1  0.860  0.720  0.112  1.0
  Rb  Rb2  1  0.140  0.280  0.612  1.0
  Rb  Rb3  1  0.860  0.720  0.388  1.0
  Rb  Rb4  1  0.713  0.426  0.250  1.0
  Rb  Rb5  1  0.287  0.574  0.750  1.0
  Rb  Rb6  1  0.000  0.000  0.500  1.0
  Rb  Rb7  1  0.000  0.000  0.000  1.0
  Zn  Zn8  1  0.148  0.297  0.391  1.0
  Zn  Zn9  1  0.852  0.703  0.609  1.0
  Zn  Zn10  1  0.148  0.297  0.109  1.0
  Zn  Zn11  1  0.852  0.703  0.891  1.0
  Zn  Zn12  1  0.284  0.568  0.969  1.0
  Zn  Zn13  1  0.716  0.432  0.031  1.0
  Zn  Zn14  1  0.284  0.568  0.531  1.0
  Zn  Zn15  1  0.716  0.432  0.469  1.0
  Zn  Zn16  1  0.574  0.148  0.329  1.0
  Zn  Zn17  1  0.426  0.852  0.671  1.0
  Zn  Zn18  1  0.574  0.148  0.171  1.0
  Zn  Zn19  1  0.426  0.852  0.829  1.0
  Zn  Zn20  1  0.003  0.005  0.250  1.0
  Zn  Zn21  1  0.997  0.995  0.750  1.0
  As  As22  1  0.472  0.944  0.320  1.0
  As  As23  1  0.528  0.056  0.680  1.0
  As  As24  1  0.472  0.944  0.180  1.0
  As  As25  1  0.528  0.056  0.820  1.0
  As  As26  1  0.249  0.499  0.395  1.0
  As  As27  1  0.751  0.501  0.605  1.0
  As  As28  1  0.249  0.499  0.105  1.0
  As  As29  1  0.751  0.501  0.895  1.0
  As  As30  1  0.614  0.229  0.459  1.0
  As  As31  1  0.386  0.771  0.541  1.0
  As  As32  1  0.614  0.229  0.041  1.0
  As  As33  1  0.386  0.771  0.959  1.0
  As  As34  1  0.105  0.211  0.250  1.0
  As  As35  1  0.895  0.789  0.750  1.0
[/CIF]
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