The material structure described by Ca2AgZn3 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ag(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to three equivalent Ag(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Ag(1), one Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), two equivalent Ag(1), one Zn(1), and one Zn(3) atom. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Ag(1), one Zn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Zn3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.724
_cell_length_c   7.376
_cell_angle_alpha   50.483
_cell_angle_beta   50.483
_cell_angle_gamma   47.208
_symmetry_Int_Tables_number   1
_cell_volume   127.600
_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  0.552  0.552  0.696  1.0
  Ca  Ca1  1  0.449  0.449  0.301  1.0
  Zn  Zn2  1  0.828  0.828  0.740  1.0
  Zn  Zn3  1  0.843  0.843  0.093  1.0
  Zn  Zn4  1  0.167  0.167  0.892  1.0
  Ag  Ag5  1  0.161  0.161  0.278  1.0
[/CIF]
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The material structure described by Ca2AgZn3 crystallizes in the monoclinic Cm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Ag(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to three equivalent Ag(1), three equivalent Zn(1), three equivalent Zn(2), and three equivalent Zn(3) atoms. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Ag(1), one Zn(2), and two equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), two equivalent Ag(1), one Zn(1), and one Zn(3) atom. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), one Ag(1), one Zn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Zn3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   5.724
_cell_length_c   7.376
_cell_angle_alpha   50.483
_cell_angle_beta   50.483
_cell_angle_gamma   47.208
_symmetry_Int_Tables_number   1
_cell_volume   127.600
_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  0.552  0.552  0.696  1.0
  Ca  Ca1  1  0.449  0.449  0.301  1.0
  Zn  Zn2  1  0.828  0.828  0.740  1.0
  Zn  Zn3  1  0.843  0.843  0.093  1.0
  Zn  Zn4  1  0.167  0.167  0.892  1.0
  Ag  Ag5  1  0.161  0.161  0.278  1.0
[/CIF]
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