The compound described by Na4Ca2SnP4 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one P(2), one P(3), and one P(4) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(2) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(1) 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 Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(3) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one Sn(1), one P(4), two equivalent P(1), and two equivalent P(2) atoms. Sn(1) is bonded in a 4-coordinate geometry to one Ca(2), 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 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Ca(1), one Ca(2), and one Sn(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one Na(4), two equivalent Na(3), one Ca(1), two equivalent Ca(2), and one Sn(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(2), one Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the fourth P site, P(3) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), two equivalent Ca(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Ca2SnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.456
_cell_length_b   9.456
_cell_length_c   7.132
_cell_angle_alpha   88.817
_cell_angle_beta   88.817
_cell_angle_gamma   120.046
_symmetry_Int_Tables_number   1
_cell_volume   551.562
_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  0.933  0.380  1.0
  Na  Na1  1  0.933  0.470  0.880  1.0
  Na  Na2  1  0.861  0.715  0.188  1.0
  Na  Na3  1  0.294  0.139  0.224  1.0
  Na  Na4  1  0.850  0.140  0.207  1.0
  Na  Na5  1  0.139  0.294  0.724  1.0
  Na  Na6  1  0.715  0.861  0.688  1.0
  Na  Na7  1  0.140  0.850  0.707  1.0
  Ca  Ca8  1  0.060  0.531  0.387  1.0
  Ca  Ca9  1  0.480  0.535  0.379  1.0
  Ca  Ca10  1  0.531  0.060  0.887  1.0
  Ca  Ca11  1  0.535  0.480  0.879  1.0
  Sn  Sn12  1  0.661  0.327  0.498  1.0
  Sn  Sn13  1  0.327  0.661  0.998  1.0
  P  P14  1  0.196  0.376  0.141  1.0
  P  P15  1  0.625  0.807  0.089  1.0
  P  P16  1  0.194  0.816  0.112  1.0
  P  P17  1  0.807  0.625  0.589  1.0
  P  P18  1  0.376  0.196  0.641  1.0
  P  P19  1  0.816  0.194  0.612  1.0
  P  P20  1  0.657  0.333  0.141  1.0
  P  P21  1  0.333  0.657  0.641  1.0
[/CIF]
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The compound described by Na4Ca2SnP4 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one P(2), one P(3), and one P(4) atom. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(2) atoms. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one P(3), one P(4), and two equivalent P(1) 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 Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one P(1), one P(2), one P(4), and two equivalent P(3) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one Sn(1), one P(4), two equivalent P(1), and two equivalent P(2) atoms. Sn(1) is bonded in a 4-coordinate geometry to one Ca(2), 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 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Ca(1), one Ca(2), and one Sn(1) atom. In the second P site, P(1) is bonded in a 7-coordinate geometry to one Na(4), two equivalent Na(3), one Ca(1), two equivalent Ca(2), and one Sn(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(2), one Ca(1), two equivalent Ca(2), and one Sn(1) atom. In the fourth P site, P(3) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), two equivalent Ca(1), and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4Ca2SnP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.456
_cell_length_b   9.456
_cell_length_c   7.132
_cell_angle_alpha   88.817
_cell_angle_beta   88.817
_cell_angle_gamma   120.046
_symmetry_Int_Tables_number   1
_cell_volume   551.562
_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  0.933  0.380  1.0
  Na  Na1  1  0.933  0.470  0.880  1.0
  Na  Na2  1  0.861  0.715  0.188  1.0
  Na  Na3  1  0.294  0.139  0.224  1.0
  Na  Na4  1  0.850  0.140  0.207  1.0
  Na  Na5  1  0.139  0.294  0.724  1.0
  Na  Na6  1  0.715  0.861  0.688  1.0
  Na  Na7  1  0.140  0.850  0.707  1.0
  Ca  Ca8  1  0.060  0.531  0.387  1.0
  Ca  Ca9  1  0.480  0.535  0.379  1.0
  Ca  Ca10  1  0.531  0.060  0.887  1.0
  Ca  Ca11  1  0.535  0.480  0.879  1.0
  Sn  Sn12  1  0.661  0.327  0.498  1.0
  Sn  Sn13  1  0.327  0.661  0.998  1.0
  P  P14  1  0.196  0.376  0.141  1.0
  P  P15  1  0.625  0.807  0.089  1.0
  P  P16  1  0.194  0.816  0.112  1.0
  P  P17  1  0.807  0.625  0.589  1.0
  P  P18  1  0.376  0.196  0.641  1.0
  P  P19  1  0.816  0.194  0.612  1.0
  P  P20  1  0.657  0.333  0.141  1.0
  P  P21  1  0.333  0.657  0.641  1.0
[/CIF]
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