The structure described by MgZnCa crystallizes in the orthorhombic Amm2 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 Ca(2), three equivalent Mg(1), four equivalent Mg(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), two equivalent Mg(2), three equivalent Mg(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Ca(1), three equivalent Ca(2), two equivalent Mg(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted MgCa6Mg2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Ca6Mg6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with two equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with three equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgCa6Mg4Zn2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted ZnCa6Mg6 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Zn(1)Ca6Mg6 cuboctahedra, edges with two equivalent Zn(1)Ca6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), one Zn(2), and one Zn(3) atom. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_CaMgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   9.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.835
_symmetry_Int_Tables_number   1
_cell_volume   289.538
_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
  Ca  Ca0  1  0.334  0.666  0.198  1.0
  Ca  Ca1  1  0.668  0.332  0.322  1.0
  Ca  Ca2  1  0.668  0.332  0.678  1.0
  Ca  Ca3  1  0.334  0.666  0.802  1.0
  Mg  Mg4  1  0.996  0.004  0.264  1.0
  Mg  Mg5  1  0.996  0.004  0.736  1.0
  Mg  Mg6  1  0.833  0.660  0.000  1.0
  Mg  Mg7  1  0.340  0.167  0.000  1.0
  Zn  Zn8  1  0.829  0.171  0.000  1.0
  Zn  Zn9  1  0.179  0.355  0.500  1.0
  Zn  Zn10  1  0.645  0.821  0.500  1.0
  Zn  Zn11  1  0.177  0.823  0.500  1.0
[/CIF]
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The structure described by MgZnCa crystallizes in the orthorhombic Amm2 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 Ca(2), three equivalent Mg(1), four equivalent Mg(2), one Zn(3), two equivalent Zn(1), and two equivalent Zn(2) atoms. In the second Ca site, Ca(2) is bonded in a 16-coordinate geometry to one Ca(2), three equivalent Ca(1), two equivalent Mg(2), three equivalent Mg(1), one Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to three equivalent Ca(1), three equivalent Ca(2), two equivalent Mg(2), one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form distorted MgCa6Mg2Zn4 cuboctahedra that share corners with two equivalent Zn(1)Ca6Mg6 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with two equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, faces with three equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Zn(1) atoms to form distorted MgCa6Mg4Zn2 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, edges with two equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra, faces with four equivalent Zn(1)Ca6Mg6 cuboctahedra, and faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Ca(2), four equivalent Ca(1), two equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted ZnCa6Mg6 cuboctahedra that share corners with four equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, corners with four equivalent Zn(1)Ca6Mg6 cuboctahedra, edges with two equivalent Zn(1)Ca6Mg6 cuboctahedra, faces with six equivalent Mg(1)Ca6Mg2Zn4 cuboctahedra, and faces with eight equivalent Mg(2)Ca6Mg4Zn2 cuboctahedra. In the second Zn site, Zn(2) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), one Zn(2), and one Zn(3) atom. In the third Zn site, Zn(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), two equivalent Mg(1), and two equivalent Zn(2) atoms. is represented by the CIF card [CIF]
data_CaMgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.847
_cell_length_b   5.847
_cell_length_c   9.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.835
_symmetry_Int_Tables_number   1
_cell_volume   289.538
_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
  Ca  Ca0  1  0.334  0.666  0.198  1.0
  Ca  Ca1  1  0.668  0.332  0.322  1.0
  Ca  Ca2  1  0.668  0.332  0.678  1.0
  Ca  Ca3  1  0.334  0.666  0.802  1.0
  Mg  Mg4  1  0.996  0.004  0.264  1.0
  Mg  Mg5  1  0.996  0.004  0.736  1.0
  Mg  Mg6  1  0.833  0.660  0.000  1.0
  Mg  Mg7  1  0.340  0.167  0.000  1.0
  Zn  Zn8  1  0.829  0.171  0.000  1.0
  Zn  Zn9  1  0.179  0.355  0.500  1.0
  Zn  Zn10  1  0.645  0.821  0.500  1.0
  Zn  Zn11  1  0.177  0.823  0.500  1.0
[/CIF]
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