The material described by BeCeSiHO5 crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form BeO4 trigonal pyramids that share corners with three equivalent Si(1)O4 tetrahedra and  an edgeedge with one Be(1)O4 trigonal pyramid. Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Be(1)O4 trigonal pyramids. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Be(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Be(1), one Ce(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Be(1), one Ce(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CeBeSiHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.688
_cell_length_b   5.520
_cell_length_c   8.588
_cell_angle_alpha   78.010
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.486
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.876  0.988  0.319  1.0
  Ce  Ce1  1  0.624  0.988  0.819  1.0
  Ce  Ce2  1  0.376  0.012  0.181  1.0
  Ce  Ce3  1  0.124  0.012  0.681  1.0
  Be  Be4  1  0.900  0.399  0.950  1.0
  Be  Be5  1  0.600  0.399  0.450  1.0
  Be  Be6  1  0.400  0.601  0.550  1.0
  Be  Be7  1  0.100  0.601  0.050  1.0
  Si  Si8  1  0.299  0.465  0.829  1.0
  Si  Si9  1  0.201  0.465  0.329  1.0
  Si  Si10  1  0.799  0.535  0.671  1.0
  Si  Si11  1  0.701  0.535  0.171  1.0
  H  H12  1  0.586  0.986  0.466  1.0
  H  H13  1  0.914  0.986  0.966  1.0
  H  H14  1  0.086  0.014  0.034  1.0
  H  H15  1  0.414  0.014  0.534  1.0
  O  O16  1  0.597  0.520  0.608  1.0
  O  O17  1  0.903  0.520  0.108  1.0
  O  O18  1  0.263  0.413  0.652  1.0
  O  O19  1  0.237  0.413  0.152  1.0
  O  O20  1  0.582  0.766  0.083  1.0
  O  O21  1  0.918  0.766  0.583  1.0
  O  O22  1  0.122  0.744  0.301  1.0
  O  O23  1  0.378  0.744  0.801  1.0
  O  O24  1  0.352  0.892  0.486  1.0
  O  O25  1  0.148  0.892  0.986  1.0
  O  O26  1  0.852  0.108  0.014  1.0
  O  O27  1  0.648  0.108  0.514  1.0
  O  O28  1  0.622  0.256  0.199  1.0
  O  O29  1  0.878  0.256  0.699  1.0
  O  O30  1  0.082  0.234  0.417  1.0
  O  O31  1  0.418  0.234  0.917  1.0
  O  O32  1  0.763  0.587  0.848  1.0
  O  O33  1  0.737  0.587  0.348  1.0
  O  O34  1  0.097  0.480  0.892  1.0
  O  O35  1  0.403  0.480  0.392  1.0
[/CIF]
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The material described by BeCeSiHO5 crystallizes in the monoclinic P2_1/c space group. Be(1) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form BeO4 trigonal pyramids that share corners with three equivalent Si(1)O4 tetrahedra and  an edgeedge with one Be(1)O4 trigonal pyramid. Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Be(1)O4 trigonal pyramids. H(1) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Be(1) and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Be(1), one Ce(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Be(1), one Ce(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CeBeSiHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.688
_cell_length_b   5.520
_cell_length_c   8.588
_cell_angle_alpha   78.010
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.486
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.876  0.988  0.319  1.0
  Ce  Ce1  1  0.624  0.988  0.819  1.0
  Ce  Ce2  1  0.376  0.012  0.181  1.0
  Ce  Ce3  1  0.124  0.012  0.681  1.0
  Be  Be4  1  0.900  0.399  0.950  1.0
  Be  Be5  1  0.600  0.399  0.450  1.0
  Be  Be6  1  0.400  0.601  0.550  1.0
  Be  Be7  1  0.100  0.601  0.050  1.0
  Si  Si8  1  0.299  0.465  0.829  1.0
  Si  Si9  1  0.201  0.465  0.329  1.0
  Si  Si10  1  0.799  0.535  0.671  1.0
  Si  Si11  1  0.701  0.535  0.171  1.0
  H  H12  1  0.586  0.986  0.466  1.0
  H  H13  1  0.914  0.986  0.966  1.0
  H  H14  1  0.086  0.014  0.034  1.0
  H  H15  1  0.414  0.014  0.534  1.0
  O  O16  1  0.597  0.520  0.608  1.0
  O  O17  1  0.903  0.520  0.108  1.0
  O  O18  1  0.263  0.413  0.652  1.0
  O  O19  1  0.237  0.413  0.152  1.0
  O  O20  1  0.582  0.766  0.083  1.0
  O  O21  1  0.918  0.766  0.583  1.0
  O  O22  1  0.122  0.744  0.301  1.0
  O  O23  1  0.378  0.744  0.801  1.0
  O  O24  1  0.352  0.892  0.486  1.0
  O  O25  1  0.148  0.892  0.986  1.0
  O  O26  1  0.852  0.108  0.014  1.0
  O  O27  1  0.648  0.108  0.514  1.0
  O  O28  1  0.622  0.256  0.199  1.0
  O  O29  1  0.878  0.256  0.699  1.0
  O  O30  1  0.082  0.234  0.417  1.0
  O  O31  1  0.418  0.234  0.917  1.0
  O  O32  1  0.763  0.587  0.848  1.0
  O  O33  1  0.737  0.587  0.348  1.0
  O  O34  1  0.097  0.480  0.892  1.0
  O  O35  1  0.403  0.480  0.392  1.0
[/CIF]
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