The material described by Ba7Ga4P9 crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent P(2), and four equivalent P(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Ga(1), one P(3), one P(4), one P(5), two equivalent P(1), and two equivalent P(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(5) and four equivalent P(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Ba(1), two equivalent Ba(2), one P(2), one P(5), and two equivalent P(1) atoms to form distorted GaBa3P4 tetrahedra that share  a cornercorner with one Ga(1)Ba3P4 tetrahedra and corners with two equivalent Ga(2)P4 tetrahedra. In the second Ga site, Ga(2) is bonded to one P(3), one P(4), and two equivalent P(1) atoms to form distorted GaP4 tetrahedra that share corners with two equivalent Ga(1)Ba3P4 tetrahedra and  an edgeedge with one Ga(2)P4 tetrahedra. There are five inequivalent P sites. In the first P site, P(3) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Ga(2) atoms. In the second P site, P(4) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Ga(2) atoms. In the third P site, P(5) is bonded in a distorted trigonal planar geometry to one Ba(3), four equivalent Ba(2), and two equivalent Ga(1) atoms. In the fourth P site, P(1) is bonded in a 7-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), one Ga(1), and one Ga(2) atom. In the fifth P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Ba7Ga4P9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   9.935
_cell_length_c   16.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1129.637
_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
  Ba  Ba0  1  0.448  0.500  0.784  1.0
  Ba  Ba1  1  0.448  0.500  0.216  1.0
  Ba  Ba2  1  0.552  0.000  0.716  1.0
  Ba  Ba3  1  0.552  0.000  0.284  1.0
  Ba  Ba4  1  0.941  0.279  0.875  1.0
  Ba  Ba5  1  0.941  0.721  0.875  1.0
  Ba  Ba6  1  0.941  0.279  0.125  1.0
  Ba  Ba7  1  0.941  0.721  0.125  1.0
  Ba  Ba8  1  0.059  0.221  0.625  1.0
  Ba  Ba9  1  0.059  0.779  0.625  1.0
  Ba  Ba10  1  0.059  0.221  0.375  1.0
  Ba  Ba11  1  0.059  0.779  0.375  1.0
  Ba  Ba12  1  0.400  0.500  0.500  1.0
  Ba  Ba13  1  0.600  0.000  0.000  1.0
  Ga  Ga14  1  0.767  0.500  0.377  1.0
  Ga  Ga15  1  0.767  0.500  0.623  1.0
  Ga  Ga16  1  0.233  0.000  0.123  1.0
  Ga  Ga17  1  0.233  0.000  0.877  1.0
  Ga  Ga18  1  0.575  0.828  0.500  1.0
  Ga  Ga19  1  0.575  0.172  0.500  1.0
  Ga  Ga20  1  0.425  0.672  0.000  1.0
  Ga  Ga21  1  0.425  0.328  0.000  1.0
  P  P22  1  0.565  0.292  0.374  1.0
  P  P23  1  0.565  0.708  0.374  1.0
  P  P24  1  0.565  0.292  0.626  1.0
  P  P25  1  0.565  0.708  0.626  1.0
  P  P26  1  0.435  0.208  0.126  1.0
  P  P27  1  0.435  0.792  0.126  1.0
  P  P28  1  0.435  0.208  0.874  1.0
  P  P29  1  0.435  0.792  0.874  1.0
  P  P30  1  0.977  0.500  0.265  1.0
  P  P31  1  0.977  0.500  0.735  1.0
  P  P32  1  0.023  0.000  0.235  1.0
  P  P33  1  0.023  0.000  0.765  1.0
  P  P34  1  0.691  0.500  0.000  1.0
  P  P35  1  0.309  0.000  0.500  1.0
  P  P36  1  0.161  0.500  0.000  1.0
  P  P37  1  0.839  0.000  0.500  1.0
  P  P38  1  0.951  0.500  0.500  1.0
  P  P39  1  0.049  0.000  0.000  1.0
[/CIF]
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The material described by Ba7Ga4P9 crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent P(2), and four equivalent P(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one Ga(1), one P(3), one P(4), one P(5), two equivalent P(1), and two equivalent P(2) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one P(5) and four equivalent P(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Ba(1), two equivalent Ba(2), one P(2), one P(5), and two equivalent P(1) atoms to form distorted GaBa3P4 tetrahedra that share  a cornercorner with one Ga(1)Ba3P4 tetrahedra and corners with two equivalent Ga(2)P4 tetrahedra. In the second Ga site, Ga(2) is bonded to one P(3), one P(4), and two equivalent P(1) atoms to form distorted GaP4 tetrahedra that share corners with two equivalent Ga(1)Ba3P4 tetrahedra and  an edgeedge with one Ga(2)P4 tetrahedra. There are five inequivalent P sites. In the first P site, P(3) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Ga(2) atoms. In the second P site, P(4) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Ga(2) atoms. In the third P site, P(5) is bonded in a distorted trigonal planar geometry to one Ba(3), four equivalent Ba(2), and two equivalent Ga(1) atoms. In the fourth P site, P(1) is bonded in a 7-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), one Ga(1), and one Ga(2) atom. In the fifth P site, P(2) is bonded in a 7-coordinate geometry to two equivalent Ba(1), four equivalent Ba(2), and one Ga(1) atom. is represented by the CIF card [CIF]
data_Ba7Ga4P9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.769
_cell_length_b   9.935
_cell_length_c   16.797
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1129.637
_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
  Ba  Ba0  1  0.448  0.500  0.784  1.0
  Ba  Ba1  1  0.448  0.500  0.216  1.0
  Ba  Ba2  1  0.552  0.000  0.716  1.0
  Ba  Ba3  1  0.552  0.000  0.284  1.0
  Ba  Ba4  1  0.941  0.279  0.875  1.0
  Ba  Ba5  1  0.941  0.721  0.875  1.0
  Ba  Ba6  1  0.941  0.279  0.125  1.0
  Ba  Ba7  1  0.941  0.721  0.125  1.0
  Ba  Ba8  1  0.059  0.221  0.625  1.0
  Ba  Ba9  1  0.059  0.779  0.625  1.0
  Ba  Ba10  1  0.059  0.221  0.375  1.0
  Ba  Ba11  1  0.059  0.779  0.375  1.0
  Ba  Ba12  1  0.400  0.500  0.500  1.0
  Ba  Ba13  1  0.600  0.000  0.000  1.0
  Ga  Ga14  1  0.767  0.500  0.377  1.0
  Ga  Ga15  1  0.767  0.500  0.623  1.0
  Ga  Ga16  1  0.233  0.000  0.123  1.0
  Ga  Ga17  1  0.233  0.000  0.877  1.0
  Ga  Ga18  1  0.575  0.828  0.500  1.0
  Ga  Ga19  1  0.575  0.172  0.500  1.0
  Ga  Ga20  1  0.425  0.672  0.000  1.0
  Ga  Ga21  1  0.425  0.328  0.000  1.0
  P  P22  1  0.565  0.292  0.374  1.0
  P  P23  1  0.565  0.708  0.374  1.0
  P  P24  1  0.565  0.292  0.626  1.0
  P  P25  1  0.565  0.708  0.626  1.0
  P  P26  1  0.435  0.208  0.126  1.0
  P  P27  1  0.435  0.792  0.126  1.0
  P  P28  1  0.435  0.208  0.874  1.0
  P  P29  1  0.435  0.792  0.874  1.0
  P  P30  1  0.977  0.500  0.265  1.0
  P  P31  1  0.977  0.500  0.735  1.0
  P  P32  1  0.023  0.000  0.235  1.0
  P  P33  1  0.023  0.000  0.765  1.0
  P  P34  1  0.691  0.500  0.000  1.0
  P  P35  1  0.309  0.000  0.500  1.0
  P  P36  1  0.161  0.500  0.000  1.0
  P  P37  1  0.839  0.000  0.500  1.0
  P  P38  1  0.951  0.500  0.500  1.0
  P  P39  1  0.049  0.000  0.000  1.0
[/CIF]
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