The crystal structure described by Na4Sr2TiP4 is alpha Pu-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Ti(1), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(2) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one P(1), one P(2), one P(3), and one P(4) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. Ti(1) is bonded in a tetrahedral geometry to one Na(1), one P(1), one P(2), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(4) is bonded in a 8-coordinate geometry to one Na(2), one Na(3), one Na(4), two equivalent Na(1), two equivalent Sr(1), and one Ti(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Sr(1), one Sr(2), and one Ti(1) atom. In the third P site, P(2) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), two equivalent Na(3), one Sr(1), two equivalent Sr(2), and one Ti(1) atom. In the fourth P site, P(3) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), two equivalent Na(2), one Sr(1), two equivalent Sr(2), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Na4Sr2TiP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.395
_cell_length_b   9.395
_cell_length_c   7.440
_cell_angle_alpha   89.732
_cell_angle_beta   89.732
_cell_angle_gamma   120.310
_symmetry_Int_Tables_number   1
_cell_volume   566.890
_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
  Na  Na0  1  0.470  0.937  0.388  1.0
  Na  Na1  1  0.937  0.470  0.888  1.0
  Na  Na2  1  0.869  0.732  0.208  1.0
  Na  Na3  1  0.276  0.128  0.232  1.0
  Na  Na4  1  0.854  0.132  0.223  1.0
  Na  Na5  1  0.128  0.276  0.732  1.0
  Na  Na6  1  0.732  0.869  0.708  1.0
  Na  Na7  1  0.132  0.854  0.723  1.0
  Sr  Sr8  1  0.057  0.534  0.391  1.0
  Sr  Sr9  1  0.478  0.537  0.390  1.0
  Sr  Sr10  1  0.534  0.057  0.891  1.0
  Sr  Sr11  1  0.537  0.478  0.890  1.0
  Ti  Ti12  1  0.662  0.327  0.498  1.0
  Ti  Ti13  1  0.327  0.662  0.998  1.0
  P  P14  1  0.665  0.337  0.175  1.0
  P  P15  1  0.337  0.665  0.675  1.0
  P  P16  1  0.195  0.385  0.112  1.0
  P  P17  1  0.614  0.806  0.094  1.0
  P  P18  1  0.194  0.807  0.100  1.0
  P  P19  1  0.806  0.614  0.594  1.0
  P  P20  1  0.385  0.195  0.612  1.0
  P  P21  1  0.807  0.194  0.600  1.0
[/CIF]
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The crystal structure described by Na4Sr2TiP4 is alpha Pu-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Ti(1), one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(3) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one P(1), one P(4), and two equivalent P(2) atoms. In the fourth Na site, Na(4) is bonded in a 4-coordinate geometry to one P(1), one P(2), one P(3), and one P(4) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one P(1), one P(2), one P(3), and two equivalent P(4) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(2), and two equivalent P(3) atoms. Ti(1) is bonded in a tetrahedral geometry to one Na(1), one P(1), one P(2), one P(3), and one P(4) atom. There are four inequivalent P sites. In the first P site, P(4) is bonded in a 8-coordinate geometry to one Na(2), one Na(3), one Na(4), two equivalent Na(1), two equivalent Sr(1), and one Ti(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Sr(1), one Sr(2), and one Ti(1) atom. In the third P site, P(2) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), two equivalent Na(3), one Sr(1), two equivalent Sr(2), and one Ti(1) atom. In the fourth P site, P(3) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), two equivalent Na(2), one Sr(1), two equivalent Sr(2), and one Ti(1) atom. is represented by the CIF file [CIF]
data_Na4Sr2TiP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.395
_cell_length_b   9.395
_cell_length_c   7.440
_cell_angle_alpha   89.732
_cell_angle_beta   89.732
_cell_angle_gamma   120.310
_symmetry_Int_Tables_number   1
_cell_volume   566.890
_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
  Na  Na0  1  0.470  0.937  0.388  1.0
  Na  Na1  1  0.937  0.470  0.888  1.0
  Na  Na2  1  0.869  0.732  0.208  1.0
  Na  Na3  1  0.276  0.128  0.232  1.0
  Na  Na4  1  0.854  0.132  0.223  1.0
  Na  Na5  1  0.128  0.276  0.732  1.0
  Na  Na6  1  0.732  0.869  0.708  1.0
  Na  Na7  1  0.132  0.854  0.723  1.0
  Sr  Sr8  1  0.057  0.534  0.391  1.0
  Sr  Sr9  1  0.478  0.537  0.390  1.0
  Sr  Sr10  1  0.534  0.057  0.891  1.0
  Sr  Sr11  1  0.537  0.478  0.890  1.0
  Ti  Ti12  1  0.662  0.327  0.498  1.0
  Ti  Ti13  1  0.327  0.662  0.998  1.0
  P  P14  1  0.665  0.337  0.175  1.0
  P  P15  1  0.337  0.665  0.675  1.0
  P  P16  1  0.195  0.385  0.112  1.0
  P  P17  1  0.614  0.806  0.094  1.0
  P  P18  1  0.194  0.807  0.100  1.0
  P  P19  1  0.806  0.614  0.594  1.0
  P  P20  1  0.385  0.195  0.612  1.0
  P  P21  1  0.807  0.194  0.600  1.0
[/CIF]
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