The material described by BaMg14O16C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a BaMg14O16 framework. In the BaMg14O16 framework, Ba(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OBaMg5 octahedra that share corners with four equivalent O(1)BaMg5 octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(1)BaMg5 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and four Mg(2,2) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)BaMg5 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a square co-planar geometry to four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg14CO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   4.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.222
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.266  0.500  1.0
  Mg  Mg4  1  0.000  0.734  0.500  1.0
  Mg  Mg5  1  0.500  0.257  0.500  1.0
  Mg  Mg6  1  0.500  0.743  0.500  1.0
  Mg  Mg7  1  0.266  0.000  0.500  1.0
  Mg  Mg8  1  0.257  0.500  0.500  1.0
  Mg  Mg9  1  0.734  0.000  0.500  1.0
  Mg  Mg10  1  0.743  0.500  0.500  1.0
  Mg  Mg11  1  0.262  0.262  0.000  1.0
  Mg  Mg12  1  0.262  0.738  0.000  1.0
  Mg  Mg13  1  0.738  0.262  0.000  1.0
  Mg  Mg14  1  0.738  0.738  0.000  1.0
  C  C15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.281  0.000  0.000  1.0
  O  O17  1  0.255  0.500  0.000  1.0
  O  O18  1  0.719  0.000  0.000  1.0
  O  O19  1  0.745  0.500  0.000  1.0
  O  O20  1  0.251  0.251  0.500  1.0
  O  O21  1  0.251  0.749  0.500  1.0
  O  O22  1  0.749  0.251  0.500  1.0
  O  O23  1  0.749  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.281  0.000  1.0
  O  O29  1  0.000  0.719  0.000  1.0
  O  O30  1  0.500  0.255  0.000  1.0
  O  O31  1  0.500  0.745  0.000  1.0
[/CIF]
.
The material described by BaMg14O16C crystallizes in the tetragonal P4/mmm space group. The structure consists of one 02329_fluka atom inside a BaMg14O16 framework. In the BaMg14O16 framework, Ba(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form BaO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with four equivalent Mg(1)O6 octahedra; edges with four equivalent Mg(4)O6 octahedra; and edges with eight Mg(2,2)O6 octahedra. The corner-sharing octahedra are not tilted. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Ba(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; edges with four Mg(2,2)O6 octahedra; edges with four equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third Mg site, Mg(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(3)O6 octahedra; corners with four Mg(2,2)O6 octahedra; edges with two equivalent Ba(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two Mg(2,2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth Mg site, Mg(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth Mg site, Mg(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(4)O6 octahedra,  an edgeedge with one Ba(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mg(2)O6 octahedra, and edges with four equivalent Mg(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms to form OBaMg5 octahedra that share corners with four equivalent O(1)BaMg5 octahedra, corners with two equivalent O(2)Mg5 square pyramids, edges with two equivalent O(4)Ba2Mg4 octahedra, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with two equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Mg(1), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted OMg5 square pyramids that share corners with two equivalent O(1)BaMg5 octahedra, corners with five equivalent O(2)Mg5 square pyramids, edges with two equivalent O(1)BaMg5 octahedra, edges with two equivalent O(5)Mg6 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the third O site, O(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Ba2Mg4 octahedra, edges with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and four Mg(2,2) atoms to form OBa2Mg4 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with four equivalent O(5)Mg6 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with eight equivalent O(1)BaMg5 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(1); two Mg(2,2); and two equivalent Mg(3) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Ba2Mg4 octahedra, corners with two equivalent O(5)Mg6 octahedra, edges with four equivalent O(1)BaMg5 octahedra, edges with four equivalent O(3)Mg6 octahedra, and edges with four equivalent O(2)Mg5 square pyramids. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a square co-planar geometry to four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg14CO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.746
_cell_length_b   8.746
_cell_length_c   4.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.222
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.500  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.266  0.500  1.0
  Mg  Mg4  1  0.000  0.734  0.500  1.0
  Mg  Mg5  1  0.500  0.257  0.500  1.0
  Mg  Mg6  1  0.500  0.743  0.500  1.0
  Mg  Mg7  1  0.266  0.000  0.500  1.0
  Mg  Mg8  1  0.257  0.500  0.500  1.0
  Mg  Mg9  1  0.734  0.000  0.500  1.0
  Mg  Mg10  1  0.743  0.500  0.500  1.0
  Mg  Mg11  1  0.262  0.262  0.000  1.0
  Mg  Mg12  1  0.262  0.738  0.000  1.0
  Mg  Mg13  1  0.738  0.262  0.000  1.0
  Mg  Mg14  1  0.738  0.738  0.000  1.0
  C  C15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.281  0.000  0.000  1.0
  O  O17  1  0.255  0.500  0.000  1.0
  O  O18  1  0.719  0.000  0.000  1.0
  O  O19  1  0.745  0.500  0.000  1.0
  O  O20  1  0.251  0.251  0.500  1.0
  O  O21  1  0.251  0.749  0.500  1.0
  O  O22  1  0.749  0.251  0.500  1.0
  O  O23  1  0.749  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.281  0.000  1.0
  O  O29  1  0.000  0.719  0.000  1.0
  O  O30  1  0.500  0.255  0.000  1.0
  O  O31  1  0.500  0.745  0.000  1.0
[/CIF]
.