The material described by RbZn4(BO3)3 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Rb(1), one Zn(1), one Zn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbZn4(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.980
_cell_length_c   12.920
_cell_angle_alpha   86.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.847
_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
  Rb  Rb0  1  0.276  0.000  0.750  1.0
  Rb  Rb1  1  0.724  0.000  0.250  1.0
  Zn  Zn2  1  0.350  0.488  0.875  1.0
  Zn  Zn3  1  0.350  0.512  0.625  1.0
  Zn  Zn4  1  0.650  0.512  0.125  1.0
  Zn  Zn5  1  0.650  0.488  0.375  1.0
  Zn  Zn6  1  0.833  0.209  0.939  1.0
  Zn  Zn7  1  0.833  0.791  0.561  1.0
  Zn  Zn8  1  0.167  0.791  0.061  1.0
  Zn  Zn9  1  0.167  0.209  0.439  1.0
  B  B10  1  0.845  0.500  0.750  1.0
  B  B11  1  0.155  0.500  0.250  1.0
  B  B12  1  0.655  0.190  0.546  1.0
  B  B13  1  0.655  0.810  0.954  1.0
  B  B14  1  0.345  0.810  0.454  1.0
  B  B15  1  0.345  0.190  0.046  1.0
  O  O16  1  0.121  0.500  0.750  1.0
  O  O17  1  0.879  0.500  0.250  1.0
  O  O18  1  0.203  0.275  0.963  1.0
  O  O19  1  0.203  0.725  0.537  1.0
  O  O20  1  0.797  0.725  0.037  1.0
  O  O21  1  0.797  0.275  0.463  1.0
  O  O22  1  0.708  0.406  0.830  1.0
  O  O23  1  0.708  0.594  0.670  1.0
  O  O24  1  0.292  0.594  0.170  1.0
  O  O25  1  0.292  0.406  0.330  1.0
  O  O26  1  0.397  0.263  0.562  1.0
  O  O27  1  0.397  0.737  0.938  1.0
  O  O28  1  0.603  0.737  0.438  1.0
  O  O29  1  0.603  0.263  0.062  1.0
  O  O30  1  0.752  0.043  0.607  1.0
  O  O31  1  0.752  0.957  0.893  1.0
  O  O32  1  0.248  0.957  0.393  1.0
  O  O33  1  0.248  0.043  0.107  1.0
[/CIF]
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The material described by RbZn4(BO3)3 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing ZnO4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Rb(1), one Zn(1), one Zn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Zn(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbZn4(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.062
_cell_length_b   6.980
_cell_length_c   12.920
_cell_angle_alpha   86.917
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.847
_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
  Rb  Rb0  1  0.276  0.000  0.750  1.0
  Rb  Rb1  1  0.724  0.000  0.250  1.0
  Zn  Zn2  1  0.350  0.488  0.875  1.0
  Zn  Zn3  1  0.350  0.512  0.625  1.0
  Zn  Zn4  1  0.650  0.512  0.125  1.0
  Zn  Zn5  1  0.650  0.488  0.375  1.0
  Zn  Zn6  1  0.833  0.209  0.939  1.0
  Zn  Zn7  1  0.833  0.791  0.561  1.0
  Zn  Zn8  1  0.167  0.791  0.061  1.0
  Zn  Zn9  1  0.167  0.209  0.439  1.0
  B  B10  1  0.845  0.500  0.750  1.0
  B  B11  1  0.155  0.500  0.250  1.0
  B  B12  1  0.655  0.190  0.546  1.0
  B  B13  1  0.655  0.810  0.954  1.0
  B  B14  1  0.345  0.810  0.454  1.0
  B  B15  1  0.345  0.190  0.046  1.0
  O  O16  1  0.121  0.500  0.750  1.0
  O  O17  1  0.879  0.500  0.250  1.0
  O  O18  1  0.203  0.275  0.963  1.0
  O  O19  1  0.203  0.725  0.537  1.0
  O  O20  1  0.797  0.725  0.037  1.0
  O  O21  1  0.797  0.275  0.463  1.0
  O  O22  1  0.708  0.406  0.830  1.0
  O  O23  1  0.708  0.594  0.670  1.0
  O  O24  1  0.292  0.594  0.170  1.0
  O  O25  1  0.292  0.406  0.330  1.0
  O  O26  1  0.397  0.263  0.562  1.0
  O  O27  1  0.397  0.737  0.938  1.0
  O  O28  1  0.603  0.737  0.438  1.0
  O  O29  1  0.603  0.263  0.062  1.0
  O  O30  1  0.752  0.043  0.607  1.0
  O  O31  1  0.752  0.957  0.893  1.0
  O  O32  1  0.248  0.957  0.393  1.0
  O  O33  1  0.248  0.043  0.107  1.0
[/CIF]
.