The compound described by Ba3Ru2NaO9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form NaO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and faces with two equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Na site, Na(2) is bonded to two equivalent O(14) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Na site, Na(3) is bonded to two equivalent O(6) and four equivalent O(9) atoms to form NaO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(14), two equivalent O(8), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(5)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(2)O6 octahedra, faces with two equivalent Ru(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), one O(11), one O(14), one O(2), one O(4), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(4)O12 cuboctahedra,  a cornercorner with one Ba(5)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra,  a cornercorner with one Ru(1)O6 octahedra,  a cornercorner with one Ru(2)O6 octahedra,  a cornercorner with one Ru(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Na(1)O6 octahedra,  a faceface with one Na(2)O6 octahedra,  a faceface with one Na(3)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Ba site, Ba(3) is bonded to one O(14), one O(5), two equivalent O(1), two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Ru(3)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra,  a faceface with one Na(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, faces with two equivalent Na(1)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with two equivalent Ba(5)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Ru(1)O6 octahedra, faces with two equivalent Ru(2)O6 octahedra, and faces with two equivalent Ru(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to two equivalent O(11), two equivalent O(12), two equivalent O(4), two equivalent O(6), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(3)O6 octahedra, faces with two equivalent Ru(3)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. In the sixth Ba site, Ba(6) is bonded to one O(13), one O(6), two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(5)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Ru(2)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra,  a faceface with one Na(3)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, faces with two equivalent Na(1)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form RuO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Ba(6)O12 cuboctahedra,  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ru site, Ru(2) is bonded to one O(13), one O(14), two equivalent O(7), and two equivalent O(8) atoms to form RuO6 octahedra that share  a cornercorner with one Ba(6)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third Ru site, Ru(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are fourteen inequivalent O sites. In the first O site, O(13) is bonded to two equivalent Ba(4), two equivalent Ba(6), and two equivalent Ru(2) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-61°. In the second O site, O(14) is bonded in a distorted linear geometry to one Na(2), one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(2) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(3) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Na(2), one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(1) atom. In the sixth O site, O(4) is bonded to one Ba(4), one Ba(5), two equivalent Ba(2), and two equivalent Ru(3) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-63°. In the seventh O site, O(5) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ru(3) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-61°. In the eighth O site, O(6) is bonded in a distorted linear geometry to one Na(3), one Ba(5), one Ba(6), two equivalent Ba(2), and one Ru(3) atom. In the ninth O site, O(7) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(2) atom. In the tenth O site, O(8) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), and two equivalent Ru(2) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the eleventh O site, O(9) is bonded in a distorted linear geometry to one Na(3), one Ba(5), one Ba(6), two equivalent Ba(2), and one Ru(1) atom. In the twelfth O site, O(10) is bonded to one Ba(1), one Ba(4), two equivalent Ba(3), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the thirteenth O site, O(11) is bonded to one Ba(1), one Ba(5), two equivalent Ba(2), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 7-59°. In the fourteenth O site, O(12) is bonded to one Ba(4), one Ba(5), two equivalent Ba(6), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3NaRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   14.603
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.912
_symmetry_Int_Tables_number   1
_cell_volume   448.881
_cell_formula_units_Z   2
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  0.006  0.994  0.250  1.0
  Ba  Ba1  1  0.994  0.006  0.750  1.0
  Ba  Ba2  1  0.670  0.330  0.409  1.0
  Ba  Ba3  1  0.330  0.670  0.591  1.0
  Ba  Ba4  1  0.670  0.330  0.091  1.0
  Ba  Ba5  1  0.330  0.670  0.909  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.815  0.185  0.588  1.0
  O  O9  1  0.818  0.649  0.592  1.0
  O  O10  1  0.649  0.818  0.408  1.0
  O  O11  1  0.182  0.351  0.408  1.0
  O  O12  1  0.032  0.514  0.250  1.0
  O  O13  1  0.509  0.491  0.750  1.0
  O  O14  1  0.185  0.815  0.412  1.0
  O  O15  1  0.815  0.185  0.912  1.0
  O  O16  1  0.182  0.351  0.092  1.0
  O  O17  1  0.514  0.032  0.750  1.0
  O  O18  1  0.351  0.182  0.592  1.0
  O  O19  1  0.351  0.182  0.908  1.0
  O  O20  1  0.185  0.815  0.088  1.0
  O  O21  1  0.491  0.509  0.250  1.0
  O  O22  1  0.486  0.968  0.250  1.0
  O  O23  1  0.649  0.818  0.092  1.0
  O  O24  1  0.968  0.486  0.750  1.0
  O  O25  1  0.818  0.649  0.908  1.0
  Ru  Ru26  1  0.338  0.662  0.341  1.0
  Ru  Ru27  1  0.662  0.338  0.659  1.0
  Ru  Ru28  1  0.662  0.338  0.841  1.0
  Ru  Ru29  1  0.338  0.662  0.159  1.0
[/CIF]
.
The compound described by Ba3Ru2NaO9 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form NaO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and faces with two equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second Na site, Na(2) is bonded to two equivalent O(14) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the third Na site, Na(3) is bonded to two equivalent O(6) and four equivalent O(9) atoms to form NaO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(5)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, and faces with four equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(14), two equivalent O(8), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(5)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(2)O6 octahedra, faces with two equivalent Ru(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to one O(1), one O(11), one O(14), one O(2), one O(4), one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ba(4)O12 cuboctahedra,  a cornercorner with one Ba(5)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra,  a cornercorner with one Ru(1)O6 octahedra,  a cornercorner with one Ru(2)O6 octahedra,  a cornercorner with one Ru(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra,  a faceface with one Na(1)O6 octahedra,  a faceface with one Na(2)O6 octahedra,  a faceface with one Na(3)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the third Ba site, Ba(3) is bonded to one O(14), one O(5), two equivalent O(1), two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Ru(3)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra,  a faceface with one Na(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, faces with two equivalent Na(1)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the fourth Ba site, Ba(4) is bonded to one O(10), one O(12), one O(13), one O(4), one O(5), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with two equivalent Ba(5)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(3)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Ru(1)O6 octahedra, faces with two equivalent Ru(2)O6 octahedra, and faces with two equivalent Ru(3)O6 octahedra. In the fifth Ba site, Ba(5) is bonded to two equivalent O(11), two equivalent O(12), two equivalent O(4), two equivalent O(6), and four equivalent O(9) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ba(6)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra, corners with four equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Ba(6)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Na(3)O6 octahedra, faces with two equivalent Ru(3)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. In the sixth Ba site, Ba(6) is bonded to one O(13), one O(6), two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(7), and two equivalent O(9) atoms to form BaO12 cuboctahedra that share  a cornercorner with one Ba(5)O12 cuboctahedra, corners with two equivalent Ba(3)O12 cuboctahedra, corners with two equivalent Ba(4)O12 cuboctahedra, corners with four equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Ru(2)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra,  a faceface with one Na(3)O6 octahedra,  a faceface with one Ru(2)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, faces with two equivalent Na(1)O6 octahedra, and faces with two equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(9) atom to form RuO6 octahedra that share  a cornercorner with one Ba(2)O12 cuboctahedra,  a cornercorner with one Ba(3)O12 cuboctahedra,  a cornercorner with one Ba(6)O12 cuboctahedra,  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(4)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ru site, Ru(2) is bonded to one O(13), one O(14), two equivalent O(7), and two equivalent O(8) atoms to form RuO6 octahedra that share  a cornercorner with one Ba(6)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third Ru site, Ru(3) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms to form RuO6 octahedra that share  a cornercorner with one Ba(3)O12 cuboctahedra, corners with two equivalent Ba(2)O12 cuboctahedra,  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra,  a faceface with one Ba(5)O12 cuboctahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with two equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are fourteen inequivalent O sites. In the first O site, O(13) is bonded to two equivalent Ba(4), two equivalent Ba(6), and two equivalent Ru(2) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-61°. In the second O site, O(14) is bonded in a distorted linear geometry to one Na(2), one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(2) atom. In the third O site, O(1) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(3) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Na(2), one Ba(1), one Ba(3), two equivalent Ba(2), and one Ru(1) atom. In the sixth O site, O(4) is bonded to one Ba(4), one Ba(5), two equivalent Ba(2), and two equivalent Ru(3) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-63°. In the seventh O site, O(5) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Ru(3) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-61°. In the eighth O site, O(6) is bonded in a distorted linear geometry to one Na(3), one Ba(5), one Ba(6), two equivalent Ba(2), and one Ru(3) atom. In the ninth O site, O(7) is bonded in a distorted linear geometry to one Na(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one Ru(2) atom. In the tenth O site, O(8) is bonded to one Ba(1), one Ba(4), two equivalent Ba(2), and two equivalent Ru(2) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the eleventh O site, O(9) is bonded in a distorted linear geometry to one Na(3), one Ba(5), one Ba(6), two equivalent Ba(2), and one Ru(1) atom. In the twelfth O site, O(10) is bonded to one Ba(1), one Ba(4), two equivalent Ba(3), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-62°. In the thirteenth O site, O(11) is bonded to one Ba(1), one Ba(5), two equivalent Ba(2), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 7-59°. In the fourteenth O site, O(12) is bonded to one Ba(4), one Ba(5), two equivalent Ba(6), and two equivalent Ru(1) atoms to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 5-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3NaRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   14.603
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.912
_symmetry_Int_Tables_number   1
_cell_volume   448.881
_cell_formula_units_Z   2
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  0.006  0.994  0.250  1.0
  Ba  Ba1  1  0.994  0.006  0.750  1.0
  Ba  Ba2  1  0.670  0.330  0.409  1.0
  Ba  Ba3  1  0.330  0.670  0.591  1.0
  Ba  Ba4  1  0.670  0.330  0.091  1.0
  Ba  Ba5  1  0.330  0.670  0.909  1.0
  Na  Na6  1  0.000  0.000  0.000  1.0
  Na  Na7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.815  0.185  0.588  1.0
  O  O9  1  0.818  0.649  0.592  1.0
  O  O10  1  0.649  0.818  0.408  1.0
  O  O11  1  0.182  0.351  0.408  1.0
  O  O12  1  0.032  0.514  0.250  1.0
  O  O13  1  0.509  0.491  0.750  1.0
  O  O14  1  0.185  0.815  0.412  1.0
  O  O15  1  0.815  0.185  0.912  1.0
  O  O16  1  0.182  0.351  0.092  1.0
  O  O17  1  0.514  0.032  0.750  1.0
  O  O18  1  0.351  0.182  0.592  1.0
  O  O19  1  0.351  0.182  0.908  1.0
  O  O20  1  0.185  0.815  0.088  1.0
  O  O21  1  0.491  0.509  0.250  1.0
  O  O22  1  0.486  0.968  0.250  1.0
  O  O23  1  0.649  0.818  0.092  1.0
  O  O24  1  0.968  0.486  0.750  1.0
  O  O25  1  0.818  0.649  0.908  1.0
  Ru  Ru26  1  0.338  0.662  0.341  1.0
  Ru  Ru27  1  0.662  0.338  0.659  1.0
  Ru  Ru28  1  0.662  0.338  0.841  1.0
  Ru  Ru29  1  0.338  0.662  0.159  1.0
[/CIF]
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