The compound described by NaMg2VAl6B3Si6H3O31 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 9-coordinate geometry to one O(12), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms. Mg(1) is bonded to one O(13), one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. V(1) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(14), one O(17), one O(2), one O(3), one O(4), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Al site, Al(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Al site, Al(3) is bonded to one O(1), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(8) and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(14), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(15), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), one V(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent Si(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(2), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(3), and one Si(3) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(1), two equivalent Al(1), and one H(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(3), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg2Al6VSi6B3H3O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.615
_cell_length_b   9.615
_cell_length_c   7.230
_cell_angle_alpha   75.427
_cell_angle_beta   75.427
_cell_angle_gamma   113.855
_symmetry_Int_Tables_number   1
_cell_volume   542.385
_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
  Na  Na0  1  0.995  0.995  0.780  1.0
  Mg  Mg1  1  0.999  0.816  0.426  1.0
  Mg  Mg2  1  0.816  0.999  0.426  1.0
  Al  Al3  1  0.560  0.332  0.093  1.0
  Al  Al4  1  0.775  0.443  0.652  1.0
  Al  Al5  1  0.669  0.225  0.427  1.0
  Al  Al6  1  0.443  0.775  0.652  1.0
  Al  Al7  1  0.332  0.560  0.093  1.0
  Al  Al8  1  0.225  0.669  0.427  1.0
  V  V9  1  0.178  0.178  0.244  1.0
  Si  Si10  1  0.382  0.193  0.808  1.0
  Si  Si11  1  0.811  0.617  0.193  1.0
  Si  Si12  1  0.806  0.189  0.004  1.0
  Si  Si13  1  0.617  0.811  0.193  1.0
  Si  Si14  1  0.193  0.382  0.808  1.0
  Si  Si15  1  0.189  0.806  0.004  1.0
  B  B16  1  0.333  0.001  0.440  1.0
  B  B17  1  0.669  0.669  0.773  1.0
  B  B18  1  0.001  0.333  0.440  1.0
  H  H19  1  0.384  0.384  0.368  1.0
  H  H20  1  1.000  0.615  0.753  1.0
  H  H21  1  0.615  1.000  0.753  1.0
  O  O22  1  0.571  0.284  0.636  1.0
  O  O23  1  0.713  0.429  0.207  1.0
  O  O24  1  0.715  0.286  0.920  1.0
  O  O25  1  0.429  0.713  0.207  1.0
  O  O26  1  0.284  0.571  0.636  1.0
  O  O27  1  0.286  0.715  0.920  1.0
  O  O28  1  0.484  0.149  0.350  1.0
  O  O29  1  0.665  0.516  0.835  1.0
  O  O30  1  0.852  0.334  0.502  1.0
  O  O31  1  0.516  0.665  0.835  1.0
  O  O32  1  0.149  0.484  0.350  1.0
  O  O33  1  0.334  0.852  0.502  1.0
  O  O34  1  0.188  0.002  0.462  1.0
  O  O35  1  0.813  0.813  0.650  1.0
  O  O36  1  0.002  0.188  0.462  1.0
  O  O37  1  0.282  0.282  0.722  1.0
  O  O38  1  0.000  0.720  0.005  1.0
  O  O39  1  0.720  0.000  0.005  1.0
  O  O40  1  0.280  1.000  0.836  1.0
  O  O41  1  0.720  0.720  0.118  1.0
  O  O42  1  1.000  0.280  0.836  1.0
  O  O43  1  0.010  0.010  0.215  1.0
  O  O44  1  0.387  0.205  0.027  1.0
  O  O45  1  0.818  0.612  0.414  1.0
  O  O46  1  0.795  0.182  0.233  1.0
  O  O47  1  0.612  0.818  0.414  1.0
  O  O48  1  0.205  0.387  0.027  1.0
  O  O49  1  0.182  0.795  0.233  1.0
  O  O50  1  0.395  0.395  0.226  1.0
  O  O51  1  0.000  0.602  0.624  1.0
  O  O52  1  0.602  0.000  0.624  1.0
[/CIF]
.
The compound described by NaMg2VAl6B3Si6H3O31 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 9-coordinate geometry to one O(12), one O(8), one O(9), two equivalent O(10), two equivalent O(11), and two equivalent O(7) atoms. Mg(1) is bonded to one O(13), one O(15), one O(16), one O(18), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. V(1) is bonded to one O(13), one O(17), two equivalent O(14), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(14), one O(17), one O(2), one O(3), one O(4), and one O(5) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Al site, Al(2) is bonded to one O(1), one O(15), one O(18), one O(3), one O(5), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Al site, Al(3) is bonded to one O(1), one O(16), one O(18), one O(2), one O(4), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(7) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(8) and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(11), one O(14), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Si site, Si(2) is bonded to one O(10), one O(12), one O(15), and one O(2) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(16), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(17) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(18) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Mg(1), one V(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one B(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Si(2), and one Si(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(1), and one Si(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Na(1) and two equivalent Si(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one V(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(1), one Al(1), and one Si(1) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(2), and one Si(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(3), and one Si(3) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one V(1), two equivalent Al(1), and one H(1) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one Mg(1), one Al(2), one Al(3), and one H(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMg2Al6VSi6B3H3O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.615
_cell_length_b   9.615
_cell_length_c   7.230
_cell_angle_alpha   75.427
_cell_angle_beta   75.427
_cell_angle_gamma   113.855
_symmetry_Int_Tables_number   1
_cell_volume   542.385
_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
  Na  Na0  1  0.995  0.995  0.780  1.0
  Mg  Mg1  1  0.999  0.816  0.426  1.0
  Mg  Mg2  1  0.816  0.999  0.426  1.0
  Al  Al3  1  0.560  0.332  0.093  1.0
  Al  Al4  1  0.775  0.443  0.652  1.0
  Al  Al5  1  0.669  0.225  0.427  1.0
  Al  Al6  1  0.443  0.775  0.652  1.0
  Al  Al7  1  0.332  0.560  0.093  1.0
  Al  Al8  1  0.225  0.669  0.427  1.0
  V  V9  1  0.178  0.178  0.244  1.0
  Si  Si10  1  0.382  0.193  0.808  1.0
  Si  Si11  1  0.811  0.617  0.193  1.0
  Si  Si12  1  0.806  0.189  0.004  1.0
  Si  Si13  1  0.617  0.811  0.193  1.0
  Si  Si14  1  0.193  0.382  0.808  1.0
  Si  Si15  1  0.189  0.806  0.004  1.0
  B  B16  1  0.333  0.001  0.440  1.0
  B  B17  1  0.669  0.669  0.773  1.0
  B  B18  1  0.001  0.333  0.440  1.0
  H  H19  1  0.384  0.384  0.368  1.0
  H  H20  1  1.000  0.615  0.753  1.0
  H  H21  1  0.615  1.000  0.753  1.0
  O  O22  1  0.571  0.284  0.636  1.0
  O  O23  1  0.713  0.429  0.207  1.0
  O  O24  1  0.715  0.286  0.920  1.0
  O  O25  1  0.429  0.713  0.207  1.0
  O  O26  1  0.284  0.571  0.636  1.0
  O  O27  1  0.286  0.715  0.920  1.0
  O  O28  1  0.484  0.149  0.350  1.0
  O  O29  1  0.665  0.516  0.835  1.0
  O  O30  1  0.852  0.334  0.502  1.0
  O  O31  1  0.516  0.665  0.835  1.0
  O  O32  1  0.149  0.484  0.350  1.0
  O  O33  1  0.334  0.852  0.502  1.0
  O  O34  1  0.188  0.002  0.462  1.0
  O  O35  1  0.813  0.813  0.650  1.0
  O  O36  1  0.002  0.188  0.462  1.0
  O  O37  1  0.282  0.282  0.722  1.0
  O  O38  1  0.000  0.720  0.005  1.0
  O  O39  1  0.720  0.000  0.005  1.0
  O  O40  1  0.280  1.000  0.836  1.0
  O  O41  1  0.720  0.720  0.118  1.0
  O  O42  1  1.000  0.280  0.836  1.0
  O  O43  1  0.010  0.010  0.215  1.0
  O  O44  1  0.387  0.205  0.027  1.0
  O  O45  1  0.818  0.612  0.414  1.0
  O  O46  1  0.795  0.182  0.233  1.0
  O  O47  1  0.612  0.818  0.414  1.0
  O  O48  1  0.205  0.387  0.027  1.0
  O  O49  1  0.182  0.795  0.233  1.0
  O  O50  1  0.395  0.395  0.226  1.0
  O  O51  1  0.000  0.602  0.624  1.0
  O  O52  1  0.602  0.000  0.624  1.0
[/CIF]
.