The material described by HoAl3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Ho(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ho(1), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAl3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   5.922
_cell_angle_alpha   104.276
_cell_angle_beta   104.276
_cell_angle_gamma   104.276
_symmetry_Int_Tables_number   1
_cell_volume   184.290
_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
  Ho  Ho0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.055  0.945  0.500  1.0
  Al  Al2  1  0.945  0.500  0.055  1.0
  Al  Al3  1  0.500  0.055  0.945  1.0
  B  B4  1  0.444  0.556  0.000  1.0
  B  B5  1  0.556  0.000  0.444  1.0
  B  B6  1  0.000  0.444  0.556  1.0
  B  B7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.280  0.528  0.129  1.0
  O  O9  1  0.528  0.129  0.280  1.0
  O  O10  1  0.720  0.871  0.472  1.0
  O  O11  1  0.129  0.280  0.528  1.0
  O  O12  1  0.472  0.720  0.871  1.0
  O  O13  1  0.871  0.472  0.720  1.0
  O  O14  1  0.851  0.149  0.000  1.0
  O  O15  1  0.149  0.000  0.851  1.0
  O  O16  1  0.000  0.851  0.149  1.0
  O  O17  1  0.592  0.408  0.000  1.0
  O  O18  1  0.408  0.000  0.592  1.0
  O  O19  1  0.000  0.592  0.408  1.0
[/CIF]
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The material described by HoAl3(BO3)4 is Calcite-derived structured and crystallizes in the trigonal R32 space group. Ho(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing AlO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Ho(1), one Al(1), and one B(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Al(1) and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAl3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.922
_cell_length_b   5.922
_cell_length_c   5.922
_cell_angle_alpha   104.276
_cell_angle_beta   104.276
_cell_angle_gamma   104.276
_symmetry_Int_Tables_number   1
_cell_volume   184.290
_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
  Ho  Ho0  1  0.500  0.500  0.500  1.0
  Al  Al1  1  0.055  0.945  0.500  1.0
  Al  Al2  1  0.945  0.500  0.055  1.0
  Al  Al3  1  0.500  0.055  0.945  1.0
  B  B4  1  0.444  0.556  0.000  1.0
  B  B5  1  0.556  0.000  0.444  1.0
  B  B6  1  0.000  0.444  0.556  1.0
  B  B7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.280  0.528  0.129  1.0
  O  O9  1  0.528  0.129  0.280  1.0
  O  O10  1  0.720  0.871  0.472  1.0
  O  O11  1  0.129  0.280  0.528  1.0
  O  O12  1  0.472  0.720  0.871  1.0
  O  O13  1  0.871  0.472  0.720  1.0
  O  O14  1  0.851  0.149  0.000  1.0
  O  O15  1  0.149  0.000  0.851  1.0
  O  O16  1  0.000  0.851  0.149  1.0
  O  O17  1  0.592  0.408  0.000  1.0
  O  O18  1  0.408  0.000  0.592  1.0
  O  O19  1  0.000  0.592  0.408  1.0
[/CIF]
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