The structure described by CsBa2MgNb3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO5 trigonal bipyramids. In the second Nb site, Nb(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2MgNb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   4.081
_cell_length_c   17.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.506
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.820  1.0
  Ba  Ba2  1  0.500  0.500  0.180  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.308  1.0
  Nb  Nb5  1  0.000  0.000  0.692  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.000  0.000  0.409  1.0
  O  O8  1  0.500  0.000  0.278  1.0
  O  O9  1  0.500  0.000  0.722  1.0
  O  O10  1  0.000  0.500  0.722  1.0
  O  O11  1  0.000  0.000  0.114  1.0
  O  O12  1  0.000  0.500  0.278  1.0
  O  O13  1  0.000  0.000  0.591  1.0
  O  O14  1  0.000  0.000  0.886  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.000  1.0
[/CIF]
.
The structure described by CsBa2MgNb3O10 crystallizes in the tetragonal P4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(2), and four equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO5 trigonal bipyramids. In the second Nb site, Nb(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the second O site, O(2) is bonded to two equivalent Ba(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Ba(1) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2MgNb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   4.081
_cell_length_c   17.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   293.506
_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
  Cs  Cs0  1  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.820  1.0
  Ba  Ba2  1  0.500  0.500  0.180  1.0
  Mg  Mg3  1  0.500  0.500  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.308  1.0
  Nb  Nb5  1  0.000  0.000  0.692  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.000  0.000  0.409  1.0
  O  O8  1  0.500  0.000  0.278  1.0
  O  O9  1  0.500  0.000  0.722  1.0
  O  O10  1  0.000  0.500  0.722  1.0
  O  O11  1  0.000  0.000  0.114  1.0
  O  O12  1  0.000  0.500  0.278  1.0
  O  O13  1  0.000  0.000  0.591  1.0
  O  O14  1  0.000  0.000  0.886  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.500  0.000  0.000  1.0
[/CIF]
.