The crystal structure described by NaBa2Sr2(SbO4)3 crystallizes in the orthorhombic Cmce space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(2)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the second Sb site, Sb(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Sb(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_Ba2NaSr2(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.336
_cell_length_b   8.336
_cell_length_c   8.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.491
_symmetry_Int_Tables_number   1
_cell_volume   575.077
_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  0.250  0.250  0.254  1.0
  Ba  Ba1  1  0.750  0.750  0.746  1.0
  Ba  Ba2  1  0.250  0.250  0.754  1.0
  Ba  Ba3  1  0.750  0.750  0.246  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.500  0.500  0.500  1.0
  Sr  Sr6  1  0.247  0.747  0.250  1.0
  Sr  Sr7  1  0.253  0.753  0.750  1.0
  Sr  Sr8  1  0.753  0.253  0.750  1.0
  Sr  Sr9  1  0.747  0.247  0.250  1.0
  Sb  Sb10  1  0.000  0.500  0.000  1.0
  Sb  Sb11  1  0.500  0.000  0.000  1.0
  Sb  Sb12  1  0.000  0.500  0.500  1.0
  Sb  Sb13  1  0.500  0.000  0.500  1.0
  Sb  Sb14  1  0.500  0.500  0.000  1.0
  Sb  Sb15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.969  0.469  0.250  1.0
  O  O17  1  0.531  0.031  0.750  1.0
  O  O18  1  0.031  0.531  0.750  1.0
  O  O19  1  0.469  0.969  0.250  1.0
  O  O20  1  0.017  0.017  0.271  1.0
  O  O21  1  0.983  0.983  0.729  1.0
  O  O22  1  0.483  0.483  0.771  1.0
  O  O23  1  0.517  0.517  0.229  1.0
  O  O24  1  0.006  0.728  0.025  1.0
  O  O25  1  0.272  0.994  0.975  1.0
  O  O26  1  0.772  0.494  0.525  1.0
  O  O27  1  0.506  0.228  0.475  1.0
  O  O28  1  0.994  0.272  0.975  1.0
  O  O29  1  0.728  0.006  0.025  1.0
  O  O30  1  0.228  0.506  0.475  1.0
  O  O31  1  0.494  0.772  0.525  1.0
  O  O32  1  0.003  0.750  0.474  1.0
  O  O33  1  0.250  0.997  0.526  1.0
  O  O34  1  0.750  0.497  0.974  1.0
  O  O35  1  0.503  0.250  0.026  1.0
  O  O36  1  0.997  0.250  0.526  1.0
  O  O37  1  0.750  0.003  0.474  1.0
  O  O38  1  0.250  0.503  0.026  1.0
  O  O39  1  0.497  0.750  0.974  1.0
[/CIF]
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The crystal structure described by NaBa2Sr2(SbO4)3 crystallizes in the orthorhombic Cmce space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Na(1)O6 octahedra, faces with two equivalent Sb(2)O6 octahedra, and faces with four equivalent Sb(1)O6 octahedra. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the second Sb site, Sb(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), two equivalent Sr(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Sb(1), and one Sb(2) atom. is represented by the CIF card [CIF]
data_Ba2NaSr2(SbO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.336
_cell_length_b   8.336
_cell_length_c   8.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.491
_symmetry_Int_Tables_number   1
_cell_volume   575.077
_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  0.250  0.250  0.254  1.0
  Ba  Ba1  1  0.750  0.750  0.746  1.0
  Ba  Ba2  1  0.250  0.250  0.754  1.0
  Ba  Ba3  1  0.750  0.750  0.246  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.500  0.500  0.500  1.0
  Sr  Sr6  1  0.247  0.747  0.250  1.0
  Sr  Sr7  1  0.253  0.753  0.750  1.0
  Sr  Sr8  1  0.753  0.253  0.750  1.0
  Sr  Sr9  1  0.747  0.247  0.250  1.0
  Sb  Sb10  1  0.000  0.500  0.000  1.0
  Sb  Sb11  1  0.500  0.000  0.000  1.0
  Sb  Sb12  1  0.000  0.500  0.500  1.0
  Sb  Sb13  1  0.500  0.000  0.500  1.0
  Sb  Sb14  1  0.500  0.500  0.000  1.0
  Sb  Sb15  1  0.000  0.000  0.500  1.0
  O  O16  1  0.969  0.469  0.250  1.0
  O  O17  1  0.531  0.031  0.750  1.0
  O  O18  1  0.031  0.531  0.750  1.0
  O  O19  1  0.469  0.969  0.250  1.0
  O  O20  1  0.017  0.017  0.271  1.0
  O  O21  1  0.983  0.983  0.729  1.0
  O  O22  1  0.483  0.483  0.771  1.0
  O  O23  1  0.517  0.517  0.229  1.0
  O  O24  1  0.006  0.728  0.025  1.0
  O  O25  1  0.272  0.994  0.975  1.0
  O  O26  1  0.772  0.494  0.525  1.0
  O  O27  1  0.506  0.228  0.475  1.0
  O  O28  1  0.994  0.272  0.975  1.0
  O  O29  1  0.728  0.006  0.025  1.0
  O  O30  1  0.228  0.506  0.475  1.0
  O  O31  1  0.494  0.772  0.525  1.0
  O  O32  1  0.003  0.750  0.474  1.0
  O  O33  1  0.250  0.997  0.526  1.0
  O  O34  1  0.750  0.497  0.974  1.0
  O  O35  1  0.503  0.250  0.026  1.0
  O  O36  1  0.997  0.250  0.526  1.0
  O  O37  1  0.750  0.003  0.474  1.0
  O  O38  1  0.250  0.503  0.026  1.0
  O  O39  1  0.497  0.750  0.974  1.0
[/CIF]
.