The material structure described by Ba2GaP4HO14 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form GaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ga(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Ba2GaP4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   7.664
_cell_length_c   8.680
_cell_angle_alpha   108.079
_cell_angle_beta   97.038
_cell_angle_gamma   105.779
_symmetry_Int_Tables_number   1
_cell_volume   287.435
_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
  Ba  Ba0  1  0.146  0.474  0.741  1.0
  Ba  Ba1  1  0.854  0.526  0.259  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.454  0.817  0.139  1.0
  P  P4  1  0.625  0.828  0.626  1.0
  P  P5  1  0.375  0.172  0.374  1.0
  P  P6  1  0.546  0.183  0.861  1.0
  H  H7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.261  0.838  0.995  1.0
  O  O9  1  0.334  0.669  0.533  1.0
  O  O10  1  0.421  0.960  0.311  1.0
  O  O11  1  0.220  0.132  0.868  1.0
  O  O12  1  0.157  0.148  0.488  1.0
  O  O13  1  0.344  0.612  0.142  1.0
  O  O14  1  0.252  0.207  0.217  1.0
  O  O15  1  0.748  0.793  0.783  1.0
  O  O16  1  0.656  0.388  0.858  1.0
  O  O17  1  0.843  0.852  0.512  1.0
  O  O18  1  0.780  0.868  0.132  1.0
  O  O19  1  0.579  0.040  0.689  1.0
  O  O20  1  0.666  0.331  0.467  1.0
  O  O21  1  0.739  0.162  0.005  1.0
[/CIF]
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The material structure described by Ba2GaP4HO14 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form GaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ga(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Ba2GaP4HO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.849
_cell_length_b   7.664
_cell_length_c   8.680
_cell_angle_alpha   108.079
_cell_angle_beta   97.038
_cell_angle_gamma   105.779
_symmetry_Int_Tables_number   1
_cell_volume   287.435
_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
  Ba  Ba0  1  0.146  0.474  0.741  1.0
  Ba  Ba1  1  0.854  0.526  0.259  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.454  0.817  0.139  1.0
  P  P4  1  0.625  0.828  0.626  1.0
  P  P5  1  0.375  0.172  0.374  1.0
  P  P6  1  0.546  0.183  0.861  1.0
  H  H7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.261  0.838  0.995  1.0
  O  O9  1  0.334  0.669  0.533  1.0
  O  O10  1  0.421  0.960  0.311  1.0
  O  O11  1  0.220  0.132  0.868  1.0
  O  O12  1  0.157  0.148  0.488  1.0
  O  O13  1  0.344  0.612  0.142  1.0
  O  O14  1  0.252  0.207  0.217  1.0
  O  O15  1  0.748  0.793  0.783  1.0
  O  O16  1  0.656  0.388  0.858  1.0
  O  O17  1  0.843  0.852  0.512  1.0
  O  O18  1  0.780  0.868  0.132  1.0
  O  O19  1  0.579  0.040  0.689  1.0
  O  O20  1  0.666  0.331  0.467  1.0
  O  O21  1  0.739  0.162  0.005  1.0
[/CIF]
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