The material structure described by CaMg14Zr crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(6); four Mg(3,3); four Mg(5,5); and two equivalent Zr(1) atoms to form CaMg10Zr2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with six equivalent Mg(7)Mg11Zr cuboctahedra. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four equivalent Mg(4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; corners with eight Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)Mg11Zr cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four equivalent Mg(4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; corners with eight Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)CaMg11 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Zr(1) atoms to form distorted MgCa2Mg8Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with six Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with four equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; corners with four equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Zr(1) atoms to form distorted MgCa2Mg8Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with six Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Zr(1) atom to form distorted MgCaMg10Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with ten Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the seventh Mg site, Mg(6) is bonded to one Ca(1); one Mg(1); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(7); and four Mg(5,5) atoms to form distorted MgCaMg11 cuboctahedra that share corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with six equivalent Mg(6)CaMg11 cuboctahedra; corners with eight Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg12 cuboctahedra; faces with three equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with four Mg(5,5)CaMg10Zr cuboctahedra. In the eighth Mg site, Mg(7) is bonded to one Mg(2); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(6); four Mg(5,5); and one Zr(1) atom to form MgMg11Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with six equivalent Mg(7)Mg11Zr cuboctahedra; corners with eight Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; and faces with four Mg(5,5)CaMg10Zr cuboctahedra. In the ninth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Zr(1) atom to form distorted MgCaMg10Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with ten Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. Zr(1) is bonded to two equivalent Ca(1); two equivalent Mg(7); four Mg(3,3); and four Mg(5,5) atoms to form ZrCa2Mg10 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with six equivalent Mg(6)CaMg11 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg14Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.580
_cell_length_c   10.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.383
_symmetry_Int_Tables_number   1
_cell_volume   381.398
_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  0.168  0.334  0.125  1.0
  Mg  Mg1  1  0.166  0.333  0.625  1.0
  Mg  Mg2  1  0.166  0.833  0.625  1.0
  Mg  Mg3  1  0.665  0.335  0.125  1.0
  Mg  Mg4  1  0.668  0.335  0.625  1.0
  Mg  Mg5  1  0.665  0.830  0.125  1.0
  Mg  Mg6  1  0.668  0.832  0.625  1.0
  Mg  Mg7  1  0.332  0.159  0.380  1.0
  Mg  Mg8  1  0.332  0.159  0.870  1.0
  Mg  Mg9  1  0.332  0.674  0.380  1.0
  Mg  Mg10  1  0.332  0.674  0.870  1.0
  Mg  Mg11  1  0.824  0.162  0.381  1.0
  Mg  Mg12  1  0.824  0.162  0.869  1.0
  Mg  Mg13  1  0.837  0.668  0.371  1.0
  Mg  Mg14  1  0.837  0.668  0.879  1.0
  Zr  Zr15  1  0.184  0.842  0.125  1.0
[/CIF]
.
The material structure described by CaMg14Zr crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded to two equivalent Mg(6); four Mg(3,3); four Mg(5,5); and two equivalent Zr(1) atoms to form CaMg10Zr2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with six equivalent Mg(7)Mg11Zr cuboctahedra. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four equivalent Mg(4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; corners with eight Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)Mg11Zr cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four equivalent Mg(4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; corners with eight Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)CaMg11 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Zr(1) atoms to form distorted MgCa2Mg8Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with six Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Ca(1)Mg10Zr2 cuboctahedra; corners with four equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; corners with four equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Zr(1) atoms to form distorted MgCa2Mg8Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with six Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(6)CaMg11 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with eight Mg(5,5)CaMg10Zr cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Zr(1) atom to form distorted MgCaMg10Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with ten Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the seventh Mg site, Mg(6) is bonded to one Ca(1); one Mg(1); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(7); and four Mg(5,5) atoms to form distorted MgCaMg11 cuboctahedra that share corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with six equivalent Mg(6)CaMg11 cuboctahedra; corners with eight Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(2)Mg12 cuboctahedra; faces with three equivalent Zr(1)Ca2Mg10 cuboctahedra; and faces with four Mg(5,5)CaMg10Zr cuboctahedra. In the eighth Mg site, Mg(7) is bonded to one Mg(2); two equivalent Mg(3); two equivalent Mg(4); two equivalent Mg(6); four Mg(5,5); and one Zr(1) atom to form MgMg11Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with six equivalent Mg(7)Mg11Zr cuboctahedra; corners with eight Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)CaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; and faces with four Mg(5,5)CaMg10Zr cuboctahedra. In the ninth Mg site, Mg(5) is bonded to one Ca(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and one Zr(1) atom to form distorted MgCaMg10Zr cuboctahedra that share corners with four equivalent Mg(6)CaMg11 cuboctahedra; corners with four equivalent Mg(7)Mg11Zr cuboctahedra; corners with ten Mg(5,5)CaMg10Zr cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ca2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)CaMg10Zr cuboctahedra; edges with two equivalent Mg(6)CaMg11 cuboctahedra; edges with two equivalent Mg(7)Mg11Zr cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ca2Mg10 cuboctahedra;  a faceface with one Ca(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Zr(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(6)CaMg11 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. Zr(1) is bonded to two equivalent Ca(1); two equivalent Mg(7); four Mg(3,3); and four Mg(5,5) atoms to form ZrCa2Mg10 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Zr(1)Ca2Mg10 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ca(1)Mg10Zr2 cuboctahedra; edges with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(7)Mg11Zr cuboctahedra; edges with eight Mg(5,5)CaMg10Zr cuboctahedra; faces with two equivalent Ca(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(7)Mg11Zr cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with four Mg(3,3)Ca2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)CaMg10Zr cuboctahedra; and faces with six equivalent Mg(6)CaMg11 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaMg14Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.505
_cell_length_b   6.580
_cell_length_c   10.330
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.383
_symmetry_Int_Tables_number   1
_cell_volume   381.398
_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  0.168  0.334  0.125  1.0
  Mg  Mg1  1  0.166  0.333  0.625  1.0
  Mg  Mg2  1  0.166  0.833  0.625  1.0
  Mg  Mg3  1  0.665  0.335  0.125  1.0
  Mg  Mg4  1  0.668  0.335  0.625  1.0
  Mg  Mg5  1  0.665  0.830  0.125  1.0
  Mg  Mg6  1  0.668  0.832  0.625  1.0
  Mg  Mg7  1  0.332  0.159  0.380  1.0
  Mg  Mg8  1  0.332  0.159  0.870  1.0
  Mg  Mg9  1  0.332  0.674  0.380  1.0
  Mg  Mg10  1  0.332  0.674  0.870  1.0
  Mg  Mg11  1  0.824  0.162  0.381  1.0
  Mg  Mg12  1  0.824  0.162  0.869  1.0
  Mg  Mg13  1  0.837  0.668  0.371  1.0
  Mg  Mg14  1  0.837  0.668  0.879  1.0
  Zr  Zr15  1  0.184  0.842  0.125  1.0
[/CIF]
.