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 four equivalent Rb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, and edges with four equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and four equivalent O(4) atoms to form MgO5 square pyramids that share  a cornercorner with one Mg(2)O5 square pyramid, corners with four equivalent Mg(1)O5 square pyramids, edges with four equivalent Rb(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3) and four equivalent O(5) atoms to form MgO5 square pyramids that share  a cornercorner with one Mg(1)O5 square pyramid, corners with four equivalent Mg(2)O5 square pyramids, and edges with four equivalent Mg(4)O6 octahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate 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 distorted MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 3-26°. B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), four equivalent Mg(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), four equivalent Mg(4), and one B(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(4) atoms to form OMg6 octahedra that share corners with four equivalent O(3)Mg6 octahedra and edges with four equivalent O(4)Rb2Mg4 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth O site, O(4) is bonded to two equivalent Rb(1), one Mg(3), one Mg(4), and two equivalent Mg(1) atoms to form ORb2Mg4 octahedra that share corners with four equivalent O(4)Rb2Mg4 octahedra, edges with two equivalent O(3)Mg6 octahedra, and edges with four equivalent O(4)Rb2Mg4 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(3), one Mg(4), and two equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_RbMg6BO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   7.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.089
_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  0.000  0.000  0.001  1.0
  Mg  Mg1  1  0.500  0.500  0.004  1.0
  Mg  Mg2  1  0.500  0.500  0.496  1.0
  Mg  Mg3  1  0.000  0.500  0.255  1.0
  Mg  Mg4  1  0.000  0.500  0.743  1.0
  Mg  Mg5  1  0.500  0.000  0.255  1.0
  Mg  Mg6  1  0.500  0.000  0.743  1.0
  B  B7  1  0.000  0.000  0.501  1.0
  O  O8  1  0.000  0.000  0.333  1.0
  O  O9  1  0.000  0.000  0.669  1.0
  O  O10  1  0.500  0.500  0.751  1.0
  O  O11  1  0.000  0.500  0.999  1.0
  O  O12  1  0.000  0.500  0.499  1.0
  O  O13  1  0.500  0.000  0.999  1.0
  O  O14  1  0.500  0.000  0.499  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 four equivalent Rb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, and edges with four equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(3) and four equivalent O(4) atoms to form MgO5 square pyramids that share  a cornercorner with one Mg(2)O5 square pyramid, corners with four equivalent Mg(1)O5 square pyramids, edges with four equivalent Rb(1)O6 octahedra, and edges with four equivalent Mg(4)O6 octahedra. In the second Mg site, Mg(2) is bonded to one O(3) and four equivalent O(5) atoms to form MgO5 square pyramids that share  a cornercorner with one Mg(1)O5 square pyramid, corners with four equivalent Mg(2)O5 square pyramids, and edges with four equivalent Mg(4)O6 octahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate 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 distorted MgO6 octahedra that share corners with four equivalent Mg(4)O6 octahedra, edges with two equivalent Rb(1)O6 octahedra, edges with four equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and edges with two equivalent Mg(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 3-26°. B(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), four equivalent Mg(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), four equivalent Mg(4), and one B(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Mg(2), and four equivalent Mg(4) atoms to form OMg6 octahedra that share corners with four equivalent O(3)Mg6 octahedra and edges with four equivalent O(4)Rb2Mg4 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth O site, O(4) is bonded to two equivalent Rb(1), one Mg(3), one Mg(4), and two equivalent Mg(1) atoms to form ORb2Mg4 octahedra that share corners with four equivalent O(4)Rb2Mg4 octahedra, edges with two equivalent O(3)Mg6 octahedra, and edges with four equivalent O(4)Rb2Mg4 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(3), one Mg(4), and two equivalent Mg(2) atoms. is represented by the CIF file [CIF]
data_RbMg6BO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   7.802
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.089
_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  0.000  0.000  0.001  1.0
  Mg  Mg1  1  0.500  0.500  0.004  1.0
  Mg  Mg2  1  0.500  0.500  0.496  1.0
  Mg  Mg3  1  0.000  0.500  0.255  1.0
  Mg  Mg4  1  0.000  0.500  0.743  1.0
  Mg  Mg5  1  0.500  0.000  0.255  1.0
  Mg  Mg6  1  0.500  0.000  0.743  1.0
  B  B7  1  0.000  0.000  0.501  1.0
  O  O8  1  0.000  0.000  0.333  1.0
  O  O9  1  0.000  0.000  0.669  1.0
  O  O10  1  0.500  0.500  0.751  1.0
  O  O11  1  0.000  0.500  0.999  1.0
  O  O12  1  0.000  0.500  0.499  1.0
  O  O13  1  0.500  0.000  0.999  1.0
  O  O14  1  0.500  0.000  0.499  1.0
[/CIF]
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