The material structure described by Na4BeAlSi4O12Cl is Chalcostibite-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), two equivalent O(1), and one Cl(1) atom. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Al(1) is bonded to four equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Be(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_Na4BeAlSi4ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   110.174
_cell_angle_beta   110.174
_cell_angle_gamma   108.074
_symmetry_Int_Tables_number   1
_cell_volume   341.525
_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  0.663  0.016  0.041  1.0
  Na  Na1  1  0.975  0.622  0.959  1.0
  Na  Na2  1  0.984  0.025  0.647  1.0
  Na  Na3  1  0.378  0.337  0.353  1.0
  Be  Be4  1  0.750  0.250  0.500  1.0
  Al  Al5  1  0.250  0.750  0.500  1.0
  Si  Si6  1  0.517  0.251  0.759  1.0
  Si  Si7  1  0.749  0.508  0.266  1.0
  Si  Si8  1  0.492  0.758  0.241  1.0
  Si  Si9  1  0.242  0.483  0.734  1.0
  Cl  Cl10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.698  0.312  0.309  1.0
  O  O12  1  0.708  0.424  0.017  1.0
  O  O13  1  0.308  0.292  0.715  1.0
  O  O14  1  0.688  0.997  0.386  1.0
  O  O15  1  0.003  0.389  0.691  1.0
  O  O16  1  0.407  0.692  0.983  1.0
  O  O17  1  0.611  0.302  0.614  1.0
  O  O18  1  0.286  0.562  0.573  1.0
  O  O19  1  0.438  0.010  0.724  1.0
  O  O20  1  0.286  0.714  0.276  1.0
  O  O21  1  0.990  0.714  0.427  1.0
  O  O22  1  0.576  0.593  0.285  1.0
[/CIF]
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The material structure described by Na4BeAlSi4O12Cl is Chalcostibite-derived structured and crystallizes in the tetragonal I-4 space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), two equivalent O(1), and one Cl(1) atom. Be(1) is bonded to four equivalent O(1) atoms to form BeO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Al(1) is bonded to four equivalent O(3) atoms to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share  a cornercorner with one Be(1)O4 tetrahedra,  a cornercorner with one Al(1)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Be(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Si(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent Na(1) atoms. is represented by the CIF card [CIF]
data_Na4BeAlSi4ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   110.174
_cell_angle_beta   110.174
_cell_angle_gamma   108.074
_symmetry_Int_Tables_number   1
_cell_volume   341.525
_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  0.663  0.016  0.041  1.0
  Na  Na1  1  0.975  0.622  0.959  1.0
  Na  Na2  1  0.984  0.025  0.647  1.0
  Na  Na3  1  0.378  0.337  0.353  1.0
  Be  Be4  1  0.750  0.250  0.500  1.0
  Al  Al5  1  0.250  0.750  0.500  1.0
  Si  Si6  1  0.517  0.251  0.759  1.0
  Si  Si7  1  0.749  0.508  0.266  1.0
  Si  Si8  1  0.492  0.758  0.241  1.0
  Si  Si9  1  0.242  0.483  0.734  1.0
  Cl  Cl10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.698  0.312  0.309  1.0
  O  O12  1  0.708  0.424  0.017  1.0
  O  O13  1  0.308  0.292  0.715  1.0
  O  O14  1  0.688  0.997  0.386  1.0
  O  O15  1  0.003  0.389  0.691  1.0
  O  O16  1  0.407  0.692  0.983  1.0
  O  O17  1  0.611  0.302  0.614  1.0
  O  O18  1  0.286  0.562  0.573  1.0
  O  O19  1  0.438  0.010  0.724  1.0
  O  O20  1  0.286  0.714  0.276  1.0
  O  O21  1  0.990  0.714  0.427  1.0
  O  O22  1  0.576  0.593  0.285  1.0
[/CIF]
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