The material described by Ca4Ag3Zn crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), and one Zn(1) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Ag(1), four equivalent Ag(3), and two equivalent Zn(1) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Ag(2), two equivalent Ag(3), and four equivalent Zn(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Ag(3), two equivalent Ag(2), and four equivalent Ag(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), four equivalent Ca(4), and two equivalent Ag(2) atoms. In the second Ag site, Ag(2) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(4), four equivalent Ca(1), and two equivalent Ag(1) atoms. In the third Ag site, Ag(3) is bonded in a 9-coordinate geometry to one Ca(4), two equivalent Ca(3), four equivalent Ca(2), and two equivalent Zn(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), four equivalent Ca(3), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4ZnAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.275
_cell_length_b   4.447
_cell_length_c   11.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.956
_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  0.500  0.500  0.144  1.0
  Ca  Ca1  1  0.000  0.500  0.643  1.0
  Ca  Ca2  1  0.000  0.000  0.358  1.0
  Ca  Ca3  1  0.500  0.000  0.857  1.0
  Zn  Zn4  1  0.500  0.500  0.432  1.0
  Ag  Ag5  1  0.000  0.500  0.925  1.0
  Ag  Ag6  1  0.000  0.000  0.075  1.0
  Ag  Ag7  1  0.500  0.000  0.567  1.0
[/CIF]
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The material described by Ca4Ag3Zn crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to two equivalent Ag(1), four equivalent Ag(2), and one Zn(1) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one Ag(1), four equivalent Ag(3), and two equivalent Zn(1) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one Ag(2), two equivalent Ag(3), and four equivalent Zn(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one Ag(3), two equivalent Ag(2), and four equivalent Ag(1) atoms. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), four equivalent Ca(4), and two equivalent Ag(2) atoms. In the second Ag site, Ag(2) is bonded in a 9-coordinate geometry to one Ca(3), two equivalent Ca(4), four equivalent Ca(1), and two equivalent Ag(1) atoms. In the third Ag site, Ag(3) is bonded in a 9-coordinate geometry to one Ca(4), two equivalent Ca(3), four equivalent Ca(2), and two equivalent Zn(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), four equivalent Ca(3), and two equivalent Ag(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4ZnAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.275
_cell_length_b   4.447
_cell_length_c   11.307
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.956
_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  0.500  0.500  0.144  1.0
  Ca  Ca1  1  0.000  0.500  0.643  1.0
  Ca  Ca2  1  0.000  0.000  0.358  1.0
  Ca  Ca3  1  0.500  0.000  0.857  1.0
  Zn  Zn4  1  0.500  0.500  0.432  1.0
  Ag  Ag5  1  0.000  0.500  0.925  1.0
  Ag  Ag6  1  0.000  0.000  0.075  1.0
  Ag  Ag7  1  0.500  0.000  0.567  1.0
[/CIF]
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