The material described by NaGe3P3 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one Ge(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Na(1), one Ge(2), and two equivalent P(3) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. In the third Ge site, Ge(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form corner-sharing GeP4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Na(1), one Ge(2), and two equivalent Ge(3) atoms to form distorted PNaGe3 trigonal pyramids that share corners with four equivalent P(3)Na2Ge3 trigonal bipyramids and corners with two equivalent P(1)NaGe3 trigonal pyramids. In the second P site, P(2) is bonded in a distorted pentagonal planar geometry to two equivalent Na(1), one Ge(3), and two equivalent Ge(2) atoms. In the third P site, P(3) is bonded to two equivalent Na(1), one Ge(3), and two equivalent Ge(1) atoms to form distorted PNa2Ge3 trigonal bipyramids that share corners with four equivalent P(1)NaGe3 trigonal pyramids and edges with two equivalent P(3)Na2Ge3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(GeP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.628
_cell_length_b   8.406
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.922
_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  0.000  0.633  0.502  1.0
  Na  Na1  1  0.000  0.367  0.002  1.0
  Ge  Ge2  1  0.000  0.293  0.715  1.0
  Ge  Ge3  1  0.000  0.707  0.215  1.0
  Ge  Ge4  1  0.000  0.001  0.648  1.0
  Ge  Ge5  1  0.000  0.999  0.148  1.0
  Ge  Ge6  1  0.500  0.817  0.914  1.0
  Ge  Ge7  1  0.500  0.183  0.414  1.0
  P  P8  1  0.000  0.772  0.778  1.0
  P  P9  1  0.000  0.228  0.278  1.0
  P  P10  1  0.500  0.933  0.511  1.0
  P  P11  1  0.500  0.067  0.011  1.0
  P  P12  1  0.500  0.370  0.578  1.0
  P  P13  1  0.500  0.630  0.078  1.0
[/CIF]
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The material described by NaGe3P3 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one Ge(1), one P(1), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Na(1), one Ge(2), and two equivalent P(3) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one P(1), and two equivalent P(2) atoms. In the third Ge site, Ge(3) is bonded to one P(2), one P(3), and two equivalent P(1) atoms to form corner-sharing GeP4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Na(1), one Ge(2), and two equivalent Ge(3) atoms to form distorted PNaGe3 trigonal pyramids that share corners with four equivalent P(3)Na2Ge3 trigonal bipyramids and corners with two equivalent P(1)NaGe3 trigonal pyramids. In the second P site, P(2) is bonded in a distorted pentagonal planar geometry to two equivalent Na(1), one Ge(3), and two equivalent Ge(2) atoms. In the third P site, P(3) is bonded to two equivalent Na(1), one Ge(3), and two equivalent Ge(1) atoms to form distorted PNa2Ge3 trigonal bipyramids that share corners with four equivalent P(1)NaGe3 trigonal pyramids and edges with two equivalent P(3)Na2Ge3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na(GeP)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.628
_cell_length_b   8.406
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   317.922
_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  0.000  0.633  0.502  1.0
  Na  Na1  1  0.000  0.367  0.002  1.0
  Ge  Ge2  1  0.000  0.293  0.715  1.0
  Ge  Ge3  1  0.000  0.707  0.215  1.0
  Ge  Ge4  1  0.000  0.001  0.648  1.0
  Ge  Ge5  1  0.000  0.999  0.148  1.0
  Ge  Ge6  1  0.500  0.817  0.914  1.0
  Ge  Ge7  1  0.500  0.183  0.414  1.0
  P  P8  1  0.000  0.772  0.778  1.0
  P  P9  1  0.000  0.228  0.278  1.0
  P  P10  1  0.500  0.933  0.511  1.0
  P  P11  1  0.500  0.067  0.011  1.0
  P  P12  1  0.500  0.370  0.578  1.0
  P  P13  1  0.500  0.630  0.078  1.0
[/CIF]
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