The crystal structure described by CsGaP3HO10 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(2), one O(4), and one O(5) 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 45-46°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   8.802
_cell_length_c   11.021
_cell_angle_alpha   107.895
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.384
_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
  Cs  Cs0  1  0.509  0.750  0.250  1.0
  Cs  Cs1  1  0.491  0.250  0.750  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.000  0.729  0.505  1.0
  P  P5  1  1.000  0.271  0.495  1.0
  P  P6  1  0.000  0.771  0.995  1.0
  P  P7  1  1.000  0.229  0.005  1.0
  P  P8  1  0.738  0.250  0.250  1.0
  P  P9  1  0.262  0.750  0.750  1.0
  H  H10  1  0.000  0.000  0.500  1.0
  H  H11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.185  0.591  0.445  1.0
  O  O13  1  0.815  0.409  0.555  1.0
  O  O14  1  0.185  0.909  0.055  1.0
  O  O15  1  0.815  0.091  0.945  1.0
  O  O16  1  0.705  0.688  0.496  1.0
  O  O17  1  0.295  0.312  0.504  1.0
  O  O18  1  0.705  0.812  0.004  1.0
  O  O19  1  0.295  0.188  0.996  1.0
  O  O20  1  0.585  0.397  0.319  1.0
  O  O21  1  0.415  0.603  0.681  1.0
  O  O22  1  0.585  0.103  0.181  1.0
  O  O23  1  0.415  0.897  0.819  1.0
  O  O24  1  0.933  0.299  0.155  1.0
  O  O25  1  0.067  0.701  0.845  1.0
  O  O26  1  0.933  0.201  0.345  1.0
  O  O27  1  0.067  0.799  0.655  1.0
  O  O28  1  0.055  0.864  0.450  1.0
  O  O29  1  0.945  0.136  0.550  1.0
  O  O30  1  0.055  0.636  0.050  1.0
  O  O31  1  0.945  0.364  0.950  1.0
[/CIF]
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The crystal structure described by CsGaP3HO10 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) 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(2), one O(4), and one O(5) 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 45-46°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. H(1) is bonded in a linear geometry to two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one Ga(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsGaP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.976
_cell_length_b   8.802
_cell_length_c   11.021
_cell_angle_alpha   107.895
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.384
_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
  Cs  Cs0  1  0.509  0.750  0.250  1.0
  Cs  Cs1  1  0.491  0.250  0.750  1.0
  Ga  Ga2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.000  0.729  0.505  1.0
  P  P5  1  1.000  0.271  0.495  1.0
  P  P6  1  0.000  0.771  0.995  1.0
  P  P7  1  1.000  0.229  0.005  1.0
  P  P8  1  0.738  0.250  0.250  1.0
  P  P9  1  0.262  0.750  0.750  1.0
  H  H10  1  0.000  0.000  0.500  1.0
  H  H11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.185  0.591  0.445  1.0
  O  O13  1  0.815  0.409  0.555  1.0
  O  O14  1  0.185  0.909  0.055  1.0
  O  O15  1  0.815  0.091  0.945  1.0
  O  O16  1  0.705  0.688  0.496  1.0
  O  O17  1  0.295  0.312  0.504  1.0
  O  O18  1  0.705  0.812  0.004  1.0
  O  O19  1  0.295  0.188  0.996  1.0
  O  O20  1  0.585  0.397  0.319  1.0
  O  O21  1  0.415  0.603  0.681  1.0
  O  O22  1  0.585  0.103  0.181  1.0
  O  O23  1  0.415  0.897  0.819  1.0
  O  O24  1  0.933  0.299  0.155  1.0
  O  O25  1  0.067  0.701  0.845  1.0
  O  O26  1  0.933  0.201  0.345  1.0
  O  O27  1  0.067  0.799  0.655  1.0
  O  O28  1  0.055  0.864  0.450  1.0
  O  O29  1  0.945  0.136  0.550  1.0
  O  O30  1  0.055  0.636  0.050  1.0
  O  O31  1  0.945  0.364  0.950  1.0
[/CIF]
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