The material described by RbMg6BO7 crystallizes in the tetragonal P4mm space group. Rb(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form RbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Rb(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Rb(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mg site, Mg(2) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. In the third Mg site, Mg(3) is bonded in a square co-planar geometry to one O(4), one O(5), and two equivalent O(1) atoms. In the fourth Mg site, Mg(4) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. B(1) is bonded in a single-bond geometry to one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(3) atoms to form distorted ORbMg5 octahedra that share corners with two equivalent O(2)RbMg5 octahedra, corners with four equivalent O(1)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second O site, O(2) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(4) atoms to form ORbMg5 octahedra that share corners with two equivalent O(1)RbMg5 octahedra, corners with four equivalent O(2)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Mg(4) and one B(1) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Rb(1), one Mg(3), and one Mg(4) atom. In the fifth O site, O(5) is bonded to one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms to form OMg6 octahedra that share corners with four equivalent O(5)Mg6 octahedra, edges with two equivalent O(1)RbMg5 octahedra, edges with two equivalent O(2)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. is represented by the CIF file [CIF]
data_RbMg6BO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.780
_cell_length_b   4.567
_cell_length_c   4.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.145
_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
  Rb  Rb0  1  0.007  0.000  0.000  1.0
  Mg  Mg1  1  0.504  0.000  0.000  1.0
  Mg  Mg2  1  0.489  0.500  0.500  1.0
  Mg  Mg3  1  0.241  0.000  0.500  1.0
  Mg  Mg4  1  0.753  0.000  0.500  1.0
  Mg  Mg5  1  0.241  0.500  0.000  1.0
  Mg  Mg6  1  0.753  0.500  0.000  1.0
  B  B7  1  0.958  0.500  0.500  1.0
  O  O8  1  0.284  0.000  0.000  1.0
  O  O9  1  0.724  0.000  0.000  1.0
  O  O10  1  0.800  0.500  0.500  1.0
  O  O11  1  0.989  0.000  0.500  1.0
  O  O12  1  0.510  0.000  0.500  1.0
  O  O13  1  0.989  0.500  0.000  1.0
  O  O14  1  0.510  0.500  0.000  1.0
[/CIF]
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The material described by RbMg6BO7 crystallizes in the tetragonal P4mm space group. Rb(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form RbO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Rb(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Rb(1)O6 octahedra, corners with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mg site, Mg(2) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. In the third Mg site, Mg(3) is bonded in a square co-planar geometry to one O(4), one O(5), and two equivalent O(1) atoms. In the fourth Mg site, Mg(4) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. B(1) is bonded in a single-bond geometry to one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(3) atoms to form distorted ORbMg5 octahedra that share corners with two equivalent O(2)RbMg5 octahedra, corners with four equivalent O(1)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second O site, O(2) is bonded to one Rb(1), one Mg(1), and four equivalent Mg(4) atoms to form ORbMg5 octahedra that share corners with two equivalent O(1)RbMg5 octahedra, corners with four equivalent O(2)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Mg(4) and one B(1) atom. In the fourth O site, O(4) is bonded in a square co-planar geometry to two equivalent Rb(1), one Mg(3), and one Mg(4) atom. In the fifth O site, O(5) is bonded to one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms to form OMg6 octahedra that share corners with four equivalent O(5)Mg6 octahedra, edges with two equivalent O(1)RbMg5 octahedra, edges with two equivalent O(2)RbMg5 octahedra, and edges with four equivalent O(5)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. is represented by the CIF file [CIF]
data_RbMg6BO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.780
_cell_length_b   4.567
_cell_length_c   4.567
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   183.145
_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
  Rb  Rb0  1  0.007  0.000  0.000  1.0
  Mg  Mg1  1  0.504  0.000  0.000  1.0
  Mg  Mg2  1  0.489  0.500  0.500  1.0
  Mg  Mg3  1  0.241  0.000  0.500  1.0
  Mg  Mg4  1  0.753  0.000  0.500  1.0
  Mg  Mg5  1  0.241  0.500  0.000  1.0
  Mg  Mg6  1  0.753  0.500  0.000  1.0
  B  B7  1  0.958  0.500  0.500  1.0
  O  O8  1  0.284  0.000  0.000  1.0
  O  O9  1  0.724  0.000  0.000  1.0
  O  O10  1  0.800  0.500  0.500  1.0
  O  O11  1  0.989  0.000  0.500  1.0
  O  O12  1  0.510  0.000  0.500  1.0
  O  O13  1  0.989  0.500  0.000  1.0
  O  O14  1  0.510  0.500  0.000  1.0
[/CIF]
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