The material structure described by Cs4Na2MgV2O8 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1), one O(2), one O(3), one O(6), and one O(8) atom. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(8) atom. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. Mg(1) is bonded in a 3-coordinate geometry to one Cs(1), one O(6), one O(7), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Cs(4), one Na(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Na(1), one Na(2), and one V(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Na(1), one Na(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), one Na(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(4), one Na(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one Cs(3), one Mg(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(4), two equivalent Cs(3), one Na(2), one Mg(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Mg(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Cs4Na2MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.590
_cell_length_b   6.551
_cell_length_c   8.483
_cell_angle_alpha   82.301
_cell_angle_beta   89.143
_cell_angle_gamma   81.091
_symmetry_Int_Tables_number   1
_cell_volume   358.558
_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  0.878  0.302  0.572  1.0
  Cs  Cs1  1  0.176  0.751  0.478  1.0
  Cs  Cs2  1  0.623  0.669  0.154  1.0
  Cs  Cs3  1  0.365  0.243  0.831  1.0
  Na  Na4  1  0.109  0.743  0.944  1.0
  Na  Na5  1  0.838  0.198  0.017  1.0
  Mg  Mg6  1  0.572  0.043  0.419  1.0
  V  V7  1  0.270  0.266  0.233  1.0
  V  V8  1  0.692  0.753  0.755  1.0
  O  O9  1  0.145  0.089  0.147  1.0
  O  O10  1  0.859  0.517  0.844  1.0
  O  O11  1  0.800  0.965  0.827  1.0
  O  O12  1  0.192  0.535  0.183  1.0
  O  O13  1  0.429  0.735  0.802  1.0
  O  O14  1  0.715  0.792  0.528  1.0
  O  O15  1  0.564  0.188  0.205  1.0
  O  O16  1  0.303  0.192  0.460  1.0
[/CIF]
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The material structure described by Cs4Na2MgV2O8 crystallizes in the triclinic P1 space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one Mg(1), one O(2), one O(3), one O(6), and one O(8) atom. In the second Cs site, Cs(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and one O(8) atom. In the third Cs site, Cs(3) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and two equivalent O(5) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form NaO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. Mg(1) is bonded in a 3-coordinate geometry to one Cs(1), one O(6), one O(7), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one Cs(4), one Na(2), and one V(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Na(1), one Na(2), and one V(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Na(1), one Na(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), one Na(1), and one V(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(4), one Na(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one Cs(3), one Mg(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(4), two equivalent Cs(3), one Na(2), one Mg(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Mg(1), and one V(1) atom. is represented by the CIF card [CIF]
data_Cs4Na2MgV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.590
_cell_length_b   6.551
_cell_length_c   8.483
_cell_angle_alpha   82.301
_cell_angle_beta   89.143
_cell_angle_gamma   81.091
_symmetry_Int_Tables_number   1
_cell_volume   358.558
_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  0.878  0.302  0.572  1.0
  Cs  Cs1  1  0.176  0.751  0.478  1.0
  Cs  Cs2  1  0.623  0.669  0.154  1.0
  Cs  Cs3  1  0.365  0.243  0.831  1.0
  Na  Na4  1  0.109  0.743  0.944  1.0
  Na  Na5  1  0.838  0.198  0.017  1.0
  Mg  Mg6  1  0.572  0.043  0.419  1.0
  V  V7  1  0.270  0.266  0.233  1.0
  V  V8  1  0.692  0.753  0.755  1.0
  O  O9  1  0.145  0.089  0.147  1.0
  O  O10  1  0.859  0.517  0.844  1.0
  O  O11  1  0.800  0.965  0.827  1.0
  O  O12  1  0.192  0.535  0.183  1.0
  O  O13  1  0.429  0.735  0.802  1.0
  O  O14  1  0.715  0.792  0.528  1.0
  O  O15  1  0.564  0.188  0.205  1.0
  O  O16  1  0.303  0.192  0.460  1.0
[/CIF]
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