The material described by NaMgAl3Si8(HO6)4 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(22), one O(5), and one O(9) atom. Mg(1) is bonded to one O(1), one O(10), one O(12), one O(16), one O(2), and one O(6) atom to form MgO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Al(2)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(10), one O(12), one O(16), one O(23), one O(24), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(14), one O(18), one O(2), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(14), one O(18), one O(23), one O(24), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(15), one O(16), one O(19), and one O(5) 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 Si(7)O4 tetrahedra, and corners with two equivalent Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. In the second Si site, Si(2) is bonded to one O(17), one O(18), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(8)O4 tetrahedra, and corners with two equivalent Si(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(21), and one O(9) 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 Si(5)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Si site, Si(4) is bonded to one O(13), one O(14), one O(22), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the sixth Si site, Si(6) is bonded to one O(10), one O(11), one O(22), and one O(9) 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 Si(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the seventh Si site, Si(7) is bonded to one O(17), one O(19), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  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 corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the eighth Si site, Si(8) is bonded to one O(15), one O(20), one O(5), and one O(6) 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 Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(23) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Al(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Si(2) and one Si(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Si(1), and one Si(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(8) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Al(2), one Al(3), and one Si(5) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Si(3), and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Al(2), one Al(3), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(2), and one Si(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(2), and one Si(8) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Na(1), one Si(4), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgAl3Si8(HO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   9.064
_cell_length_c   10.006
_cell_angle_alpha   90.012
_cell_angle_beta   90.204
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   479.321
_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  0.410  0.963  0.502  1.0
  Mg  Mg1  1  0.502  0.837  0.970  1.0
  Al  Al2  1  0.002  0.668  0.972  1.0
  Al  Al3  1  0.501  0.165  0.970  1.0
  Al  Al4  1  0.003  0.338  0.972  1.0
  Si  Si5  1  0.302  0.669  0.699  1.0
  Si  Si6  1  0.798  0.171  0.699  1.0
  Si  Si7  1  0.700  0.669  0.244  1.0
  Si  Si8  1  0.201  0.170  0.241  1.0
  Si  Si9  1  0.701  0.328  0.242  1.0
  Si  Si10  1  0.190  0.825  0.241  1.0
  Si  Si11  1  0.298  0.329  0.700  1.0
  Si  Si12  1  0.812  0.826  0.698  1.0
  H  H13  1  0.178  0.014  0.868  1.0
  H  H14  1  0.820  0.014  0.072  1.0
  H  H15  1  0.693  0.500  0.857  1.0
  H  H16  1  0.315  0.500  0.087  1.0
  O  O17  1  0.362  0.016  0.862  1.0
  O  O18  1  0.636  0.016  0.074  1.0
  O  O19  1  0.044  0.253  0.636  1.0
  O  O20  1  0.302  0.314  0.864  1.0
  O  O21  1  0.548  0.758  0.636  1.0
  O  O22  1  0.827  0.809  0.858  1.0
  O  O23  1  0.957  0.254  0.305  1.0
  O  O24  1  0.701  0.313  0.078  1.0
  O  O25  1  0.453  0.758  0.305  1.0
  O  O26  1  0.177  0.809  0.081  1.0
  O  O27  1  0.950  0.744  0.313  1.0
  O  O28  1  0.709  0.683  0.082  1.0
  O  O29  1  0.460  0.238  0.305  1.0
  O  O30  1  0.198  0.191  0.078  1.0
  O  O31  1  0.059  0.751  0.626  1.0
  O  O32  1  0.294  0.683  0.859  1.0
  O  O33  1  0.537  0.238  0.635  1.0
  O  O34  1  0.802  0.192  0.862  1.0
  O  O35  1  0.320  0.498  0.650  1.0
  O  O36  1  0.805  0.999  0.645  1.0
  O  O37  1  0.675  0.498  0.291  1.0
  O  O38  1  0.189  0.998  0.293  1.0
  O  O39  1  0.875  0.499  0.871  1.0
  O  O40  1  0.132  0.500  0.072  1.0
[/CIF]
.
The material described by NaMgAl3Si8(HO6)4 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(22), one O(5), and one O(9) atom. Mg(1) is bonded to one O(1), one O(10), one O(12), one O(16), one O(2), and one O(6) atom to form MgO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Al(2)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(10), one O(12), one O(16), one O(23), one O(24), and one O(6) atom to form AlO6 octahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(6)O4 tetrahedra,  a cornercorner with one Si(8)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(14), one O(18), one O(2), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(14), one O(18), one O(23), one O(24), one O(4), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra,  a cornercorner with one Si(4)O4 tetrahedra,  a cornercorner with one Si(5)O4 tetrahedra,  a cornercorner with one Si(7)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(15), one O(16), one O(19), and one O(5) 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 Si(7)O4 tetrahedra, and corners with two equivalent Si(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-56°. In the second Si site, Si(2) is bonded to one O(17), one O(18), one O(20), and one O(3) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(8)O4 tetrahedra, and corners with two equivalent Si(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the third Si site, Si(3) is bonded to one O(11), one O(12), one O(21), and one O(9) 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 Si(5)O4 tetrahedra, and corners with two equivalent Si(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Si site, Si(4) is bonded to one O(13), one O(14), one O(22), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(6)O4 tetrahedra, and corners with two equivalent Si(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fifth Si site, Si(5) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Si(3)O4 tetrahedra, and corners with two equivalent Si(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the sixth Si site, Si(6) is bonded to one O(10), one O(11), one O(22), and one O(9) 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 Si(4)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the seventh Si site, Si(7) is bonded to one O(17), one O(19), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  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 corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-57°. In the eighth Si site, Si(8) is bonded to one O(15), one O(20), one O(5), and one O(6) 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 Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(23) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(24) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Al(2), and one H(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Si(2) and one Si(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Si(1), and one Si(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(8) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Al(2), one Al(3), and one Si(5) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Si(3), and one Si(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Al(2), one Al(3), and one Si(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(1), and one Si(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mg(1), one Al(1), and one Si(1) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Si(2), and one Si(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one Si(2) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(7) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Si(2), and one Si(8) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Na(1), one Si(4), and one Si(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(3) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMgAl3Si8(HO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.285
_cell_length_b   9.064
_cell_length_c   10.006
_cell_angle_alpha   90.012
_cell_angle_beta   90.204
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   479.321
_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  0.410  0.963  0.502  1.0
  Mg  Mg1  1  0.502  0.837  0.970  1.0
  Al  Al2  1  0.002  0.668  0.972  1.0
  Al  Al3  1  0.501  0.165  0.970  1.0
  Al  Al4  1  0.003  0.338  0.972  1.0
  Si  Si5  1  0.302  0.669  0.699  1.0
  Si  Si6  1  0.798  0.171  0.699  1.0
  Si  Si7  1  0.700  0.669  0.244  1.0
  Si  Si8  1  0.201  0.170  0.241  1.0
  Si  Si9  1  0.701  0.328  0.242  1.0
  Si  Si10  1  0.190  0.825  0.241  1.0
  Si  Si11  1  0.298  0.329  0.700  1.0
  Si  Si12  1  0.812  0.826  0.698  1.0
  H  H13  1  0.178  0.014  0.868  1.0
  H  H14  1  0.820  0.014  0.072  1.0
  H  H15  1  0.693  0.500  0.857  1.0
  H  H16  1  0.315  0.500  0.087  1.0
  O  O17  1  0.362  0.016  0.862  1.0
  O  O18  1  0.636  0.016  0.074  1.0
  O  O19  1  0.044  0.253  0.636  1.0
  O  O20  1  0.302  0.314  0.864  1.0
  O  O21  1  0.548  0.758  0.636  1.0
  O  O22  1  0.827  0.809  0.858  1.0
  O  O23  1  0.957  0.254  0.305  1.0
  O  O24  1  0.701  0.313  0.078  1.0
  O  O25  1  0.453  0.758  0.305  1.0
  O  O26  1  0.177  0.809  0.081  1.0
  O  O27  1  0.950  0.744  0.313  1.0
  O  O28  1  0.709  0.683  0.082  1.0
  O  O29  1  0.460  0.238  0.305  1.0
  O  O30  1  0.198  0.191  0.078  1.0
  O  O31  1  0.059  0.751  0.626  1.0
  O  O32  1  0.294  0.683  0.859  1.0
  O  O33  1  0.537  0.238  0.635  1.0
  O  O34  1  0.802  0.192  0.862  1.0
  O  O35  1  0.320  0.498  0.650  1.0
  O  O36  1  0.805  0.999  0.645  1.0
  O  O37  1  0.675  0.498  0.291  1.0
  O  O38  1  0.189  0.998  0.293  1.0
  O  O39  1  0.875  0.499  0.871  1.0
  O  O40  1  0.132  0.500  0.072  1.0
[/CIF]
.