The compound described by Be3Ag4P3O12Br crystallizes in the cubic P-43n space group. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Ag(1)BrO3 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Ag(1) is bonded to three equivalent O(1) and one Br(1) atom to form distorted AgBrO3 tetrahedra that share corners with three equivalent Be(1)O4 tetrahedra, corners with three equivalent Ag(1)BrO3 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with four equivalent Ag(1)BrO3 tetrahedra. O(1) is bonded in a distorted bent 150 degrees geometry to one Be(1), one Ag(1), and one P(1) atom. Br(1) is bonded in a tetrahedral geometry to four equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Be3Ag4P3BrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.630
_cell_length_b   8.630
_cell_length_c   8.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.807
_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
  Be  Be0  1  0.250  0.000  0.500  1.0
  Be  Be1  1  0.750  0.000  0.500  1.0
  Be  Be2  1  0.500  0.250  0.000  1.0
  Be  Be3  1  0.500  0.750  0.000  1.0
  Be  Be4  1  0.000  0.500  0.250  1.0
  Be  Be5  1  0.000  0.500  0.750  1.0
  Ag  Ag6  1  0.172  0.172  0.172  1.0
  Ag  Ag7  1  0.828  0.828  0.172  1.0
  Ag  Ag8  1  0.828  0.172  0.828  1.0
  Ag  Ag9  1  0.672  0.672  0.672  1.0
  Ag  Ag10  1  0.172  0.828  0.828  1.0
  Ag  Ag11  1  0.328  0.328  0.672  1.0
  Ag  Ag12  1  0.672  0.328  0.328  1.0
  Ag  Ag13  1  0.328  0.672  0.328  1.0
  P  P14  1  0.250  0.500  0.000  1.0
  P  P15  1  0.750  0.500  0.000  1.0
  P  P16  1  0.000  0.250  0.500  1.0
  P  P17  1  0.000  0.750  0.500  1.0
  P  P18  1  0.500  0.000  0.250  1.0
  P  P19  1  0.500  0.000  0.750  1.0
  Br  Br20  1  0.000  0.000  0.000  1.0
  Br  Br21  1  0.500  0.500  0.500  1.0
  O  O22  1  0.142  0.150  0.453  1.0
  O  O23  1  0.858  0.850  0.453  1.0
  O  O24  1  0.858  0.150  0.547  1.0
  O  O25  1  0.453  0.142  0.150  1.0
  O  O26  1  0.650  0.642  0.953  1.0
  O  O27  1  0.142  0.850  0.547  1.0
  O  O28  1  0.453  0.858  0.850  1.0
  O  O29  1  0.350  0.358  0.953  1.0
  O  O30  1  0.547  0.858  0.150  1.0
  O  O31  1  0.650  0.358  0.047  1.0
  O  O32  1  0.547  0.142  0.850  1.0
  O  O33  1  0.350  0.642  0.047  1.0
  O  O34  1  0.150  0.453  0.142  1.0
  O  O35  1  0.642  0.953  0.650  1.0
  O  O36  1  0.150  0.547  0.858  1.0
  O  O37  1  0.358  0.047  0.650  1.0
  O  O38  1  0.850  0.547  0.142  1.0
  O  O39  1  0.642  0.047  0.350  1.0
  O  O40  1  0.850  0.453  0.858  1.0
  O  O41  1  0.358  0.953  0.350  1.0
  O  O42  1  0.953  0.650  0.642  1.0
  O  O43  1  0.953  0.350  0.358  1.0
  O  O44  1  0.047  0.350  0.642  1.0
  O  O45  1  0.047  0.650  0.358  1.0
[/CIF]
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The compound described by Be3Ag4P3O12Br crystallizes in the cubic P-43n space group. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Ag(1)BrO3 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Ag(1) is bonded to three equivalent O(1) and one Br(1) atom to form distorted AgBrO3 tetrahedra that share corners with three equivalent Be(1)O4 tetrahedra, corners with three equivalent Ag(1)BrO3 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra and corners with four equivalent Ag(1)BrO3 tetrahedra. O(1) is bonded in a distorted bent 150 degrees geometry to one Be(1), one Ag(1), and one P(1) atom. Br(1) is bonded in a tetrahedral geometry to four equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_Be3Ag4P3BrO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.630
_cell_length_b   8.630
_cell_length_c   8.630
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   642.807
_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
  Be  Be0  1  0.250  0.000  0.500  1.0
  Be  Be1  1  0.750  0.000  0.500  1.0
  Be  Be2  1  0.500  0.250  0.000  1.0
  Be  Be3  1  0.500  0.750  0.000  1.0
  Be  Be4  1  0.000  0.500  0.250  1.0
  Be  Be5  1  0.000  0.500  0.750  1.0
  Ag  Ag6  1  0.172  0.172  0.172  1.0
  Ag  Ag7  1  0.828  0.828  0.172  1.0
  Ag  Ag8  1  0.828  0.172  0.828  1.0
  Ag  Ag9  1  0.672  0.672  0.672  1.0
  Ag  Ag10  1  0.172  0.828  0.828  1.0
  Ag  Ag11  1  0.328  0.328  0.672  1.0
  Ag  Ag12  1  0.672  0.328  0.328  1.0
  Ag  Ag13  1  0.328  0.672  0.328  1.0
  P  P14  1  0.250  0.500  0.000  1.0
  P  P15  1  0.750  0.500  0.000  1.0
  P  P16  1  0.000  0.250  0.500  1.0
  P  P17  1  0.000  0.750  0.500  1.0
  P  P18  1  0.500  0.000  0.250  1.0
  P  P19  1  0.500  0.000  0.750  1.0
  Br  Br20  1  0.000  0.000  0.000  1.0
  Br  Br21  1  0.500  0.500  0.500  1.0
  O  O22  1  0.142  0.150  0.453  1.0
  O  O23  1  0.858  0.850  0.453  1.0
  O  O24  1  0.858  0.150  0.547  1.0
  O  O25  1  0.453  0.142  0.150  1.0
  O  O26  1  0.650  0.642  0.953  1.0
  O  O27  1  0.142  0.850  0.547  1.0
  O  O28  1  0.453  0.858  0.850  1.0
  O  O29  1  0.350  0.358  0.953  1.0
  O  O30  1  0.547  0.858  0.150  1.0
  O  O31  1  0.650  0.358  0.047  1.0
  O  O32  1  0.547  0.142  0.850  1.0
  O  O33  1  0.350  0.642  0.047  1.0
  O  O34  1  0.150  0.453  0.142  1.0
  O  O35  1  0.642  0.953  0.650  1.0
  O  O36  1  0.150  0.547  0.858  1.0
  O  O37  1  0.358  0.047  0.650  1.0
  O  O38  1  0.850  0.547  0.142  1.0
  O  O39  1  0.642  0.047  0.350  1.0
  O  O40  1  0.850  0.453  0.858  1.0
  O  O41  1  0.358  0.953  0.350  1.0
  O  O42  1  0.953  0.650  0.642  1.0
  O  O43  1  0.953  0.350  0.358  1.0
  O  O44  1  0.047  0.350  0.642  1.0
  O  O45  1  0.047  0.650  0.358  1.0
[/CIF]
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