The material structure described by BaMg14Zr is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(7); four Mg(3,3,3); four Mg(5,5); and two equivalent Zr(1) atoms to form BaMg10Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Ba(1)Mg10Zr2 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with six equivalent Mg(6)Mg11Zr cuboctahedra. There are ten 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 Ba(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; corners with eight Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)BaMg11 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 Zr(1)Ba2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; corners with eight Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)Mg11Zr cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ba(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 MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four equivalent Mg(5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr 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 Ba(1)Mg10Zr2 cuboctahedra; corners with four equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; corners with four equivalent Zr(1)Ba2Mg10 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)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)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)BaMg10Zr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent Ba(1); two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); and two equivalent Zr(1) atoms to form distorted MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Ba(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 MgBaMg10Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with ten Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(6)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)Ba2Mg10 cuboctahedra;  a faceface with one Ba(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)Ba2Mg10 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the seventh Mg site, Mg(5) is bonded to one Ba(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 MgBaMg10Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with ten Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(6)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)Ba2Mg10 cuboctahedra;  a faceface with one Ba(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)Ba2Mg10 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four equivalent Mg(5)BaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the eighth Mg site, Mg(6) is bonded to one Mg(1); two Mg(3,3); two equivalent Mg(4); two equivalent Mg(7); four Mg(5,5); and one Zr(1) atom to form MgMg11Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with six equivalent Mg(6)Mg11Zr cuboctahedra; corners with eight Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Zr(1)Ba2Mg10 cuboctahedra; faces with two Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with three equivalent Mg(2)Mg12 cuboctahedra; and faces with four Mg(5,5)BaMg10Zr cuboctahedra. In the ninth Mg site, Mg(7) is bonded to one Ba(1); one Mg(2); two Mg(3,3); two equivalent Mg(4); two equivalent Mg(6); and four Mg(5,5) atoms to form distorted MgBaMg11 cuboctahedra that share corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with six equivalent Mg(7)BaMg11 cuboctahedra; corners with eight Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(6)Mg11Zr cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Ba(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra; faces with two Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; faces with three equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with four Mg(5,5)BaMg10Zr cuboctahedra. In the tenth Mg site, Mg(3) is bonded to two equivalent Ba(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 MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four equivalent Mg(5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr cuboctahedra. Zr(1) is bonded to two equivalent Ba(1); two equivalent Mg(6); four Mg(3,3,3); and four Mg(5,5) atoms to form distorted ZrBa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Zr(1)Ba2Mg10 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with six equivalent Mg(7)BaMg11 cuboctahedra. is represented by the CIF card [CIF]
data_BaMg14Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.604
_cell_length_b   6.587
_cell_length_c   10.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.913
_symmetry_Int_Tables_number   1
_cell_volume   396.837
_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
  Ba  Ba0  1  0.157  0.828  0.125  1.0
  Mg  Mg1  1  0.163  0.331  0.625  1.0
  Mg  Mg2  1  0.167  0.834  0.625  1.0
  Mg  Mg3  1  0.664  0.331  0.125  1.0
  Mg  Mg4  1  0.667  0.328  0.625  1.0
  Mg  Mg5  1  0.664  0.833  0.125  1.0
  Mg  Mg6  1  0.667  0.839  0.625  1.0
  Mg  Mg7  1  0.336  0.179  0.387  1.0
  Mg  Mg8  1  0.336  0.179  0.863  1.0
  Mg  Mg9  1  0.336  0.657  0.387  1.0
  Mg  Mg10  1  0.336  0.657  0.863  1.0
  Mg  Mg11  1  0.839  0.170  0.369  1.0
  Mg  Mg12  1  0.839  0.170  0.881  1.0
  Mg  Mg13  1  0.818  0.659  0.391  1.0
  Mg  Mg14  1  0.818  0.659  0.859  1.0
  Zr  Zr15  1  0.194  0.347  0.125  1.0
[/CIF]
.
The material structure described by BaMg14Zr is beta-derived structured and crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(7); four Mg(3,3,3); four Mg(5,5); and two equivalent Zr(1) atoms to form BaMg10Zr2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Ba(1)Mg10Zr2 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with six equivalent Mg(6)Mg11Zr cuboctahedra. There are ten 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 Ba(1)Mg10Zr2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; corners with eight Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)BaMg11 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 Zr(1)Ba2Mg10 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; corners with eight Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; faces with four equivalent Mg(4)Mg12 cuboctahedra; and faces with six equivalent Mg(6)Mg11Zr cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ba(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 MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four equivalent Mg(5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr 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 Ba(1)Mg10Zr2 cuboctahedra; corners with four equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; corners with four equivalent Zr(1)Ba2Mg10 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)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)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)BaMg10Zr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent Ba(1); two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); and two equivalent Zr(1) atoms to form distorted MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Ba(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 MgBaMg10Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with ten Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(6)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)Ba2Mg10 cuboctahedra;  a faceface with one Ba(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)Ba2Mg10 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with four Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the seventh Mg site, Mg(5) is bonded to one Ba(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 MgBaMg10Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with ten Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Mg(5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(6)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)Ba2Mg10 cuboctahedra;  a faceface with one Ba(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)Ba2Mg10 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four equivalent Mg(5)BaMg10Zr cuboctahedra; and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the eighth Mg site, Mg(6) is bonded to one Mg(1); two Mg(3,3); two equivalent Mg(4); two equivalent Mg(7); four Mg(5,5); and one Zr(1) atom to form MgMg11Zr cuboctahedra that share corners with four equivalent Mg(7)BaMg11 cuboctahedra; corners with six equivalent Mg(6)Mg11Zr cuboctahedra; corners with eight Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Mg(7)BaMg11 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Zr(1)Ba2Mg10 cuboctahedra; faces with two Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with three equivalent Mg(2)Mg12 cuboctahedra; and faces with four Mg(5,5)BaMg10Zr cuboctahedra. In the ninth Mg site, Mg(7) is bonded to one Ba(1); one Mg(2); two Mg(3,3); two equivalent Mg(4); two equivalent Mg(6); and four Mg(5,5) atoms to form distorted MgBaMg11 cuboctahedra that share corners with four equivalent Mg(6)Mg11Zr cuboctahedra; corners with six equivalent Mg(7)BaMg11 cuboctahedra; corners with eight Mg(5,5)BaMg10Zr cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(6)Mg11Zr cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four Mg(5,5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra;  a faceface with one Ba(1)Mg10Zr2 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra; faces with two Mg(3,3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; faces with three equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with four Mg(5,5)BaMg10Zr cuboctahedra. In the tenth Mg site, Mg(3) is bonded to two equivalent Ba(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 MgBa2Mg8Zr2 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)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; edges with two equivalent Zr(1)Ba2Mg10 cuboctahedra; edges with four equivalent Mg(5)BaMg10Zr cuboctahedra; edges with four equivalent Mg(7)BaMg11 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(3)Ba2Mg8Zr2 cuboctahedra; faces with two equivalent Mg(7)BaMg11 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Zr(1)Ba2Mg10 cuboctahedra; and faces with eight Mg(5,5)BaMg10Zr cuboctahedra. Zr(1) is bonded to two equivalent Ba(1); two equivalent Mg(6); four Mg(3,3,3); and four Mg(5,5) atoms to form distorted ZrBa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Zr(1)Ba2Mg10 cuboctahedra; corners with eight equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Ba(1)Mg10Zr2 cuboctahedra; edges with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; edges with four equivalent Mg(6)Mg11Zr cuboctahedra; edges with eight Mg(5,5)BaMg10Zr cuboctahedra; faces with two equivalent Ba(1)Mg10Zr2 cuboctahedra; faces with two equivalent Mg(6)Mg11Zr cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with four Mg(3,3,3)Ba2Mg8Zr2 cuboctahedra; faces with four Mg(5,5)BaMg10Zr cuboctahedra; and faces with six equivalent Mg(7)BaMg11 cuboctahedra. is represented by the CIF card [CIF]
data_BaMg14Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.604
_cell_length_b   6.587
_cell_length_c   10.524
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.913
_symmetry_Int_Tables_number   1
_cell_volume   396.837
_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
  Ba  Ba0  1  0.157  0.828  0.125  1.0
  Mg  Mg1  1  0.163  0.331  0.625  1.0
  Mg  Mg2  1  0.167  0.834  0.625  1.0
  Mg  Mg3  1  0.664  0.331  0.125  1.0
  Mg  Mg4  1  0.667  0.328  0.625  1.0
  Mg  Mg5  1  0.664  0.833  0.125  1.0
  Mg  Mg6  1  0.667  0.839  0.625  1.0
  Mg  Mg7  1  0.336  0.179  0.387  1.0
  Mg  Mg8  1  0.336  0.179  0.863  1.0
  Mg  Mg9  1  0.336  0.657  0.387  1.0
  Mg  Mg10  1  0.336  0.657  0.863  1.0
  Mg  Mg11  1  0.839  0.170  0.369  1.0
  Mg  Mg12  1  0.839  0.170  0.881  1.0
  Mg  Mg13  1  0.818  0.659  0.391  1.0
  Mg  Mg14  1  0.818  0.659  0.859  1.0
  Zr  Zr15  1  0.194  0.347  0.125  1.0
[/CIF]
.