The material structure described by MgAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(2), one O(4), one F(2), one F(5), and one F(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(5) atom to form edge-sharing AlO3F3 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form edge-sharing AlO3F3 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one F(2), and one F(4) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Mg(1), one H(4), one F(1), one F(3), and one F(6) atom. 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(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Pb(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1), one Pb(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Al(2), one Pb(1), and one H(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Pb(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mg(1), one Al(2), and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mg(1), one Al(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAl2H4Pb2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.625
_cell_length_b   7.199
_cell_length_c   5.148
_cell_angle_alpha   90.227
_cell_angle_beta   110.019
_cell_angle_gamma   109.570
_symmetry_Int_Tables_number   1
_cell_volume   247.921
_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
  Mg  Mg0  1  0.563  0.114  0.150  1.0
  Al  Al1  1  0.195  0.689  0.165  1.0
  Al  Al2  1  0.823  0.338  0.834  1.0
  H  H3  1  0.158  0.435  0.767  1.0
  H  H4  1  0.870  0.538  0.284  1.0
  H  H5  1  0.136  0.866  0.744  1.0
  H  H6  1  0.929  0.155  0.238  1.0
  Pb  Pb7  1  0.750  0.793  0.788  1.0
  Pb  Pb8  1  0.271  0.208  0.330  1.0
  O  O9  1  0.103  0.446  0.909  1.0
  O  O10  1  0.911  0.557  0.121  1.0
  O  O11  1  0.093  0.854  0.905  1.0
  O  O12  1  0.810  0.132  0.062  1.0
  F  F13  1  0.232  0.864  0.453  1.0
  F  F14  1  0.748  0.136  0.551  1.0
  F  F15  1  0.328  0.572  0.441  1.0
  F  F16  1  0.771  0.494  0.555  1.0
  F  F17  1  0.438  0.819  0.121  1.0
  F  F18  1  0.557  0.277  0.820  1.0
[/CIF]
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The material structure described by MgAl2Pb2H4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Pb(2), one O(4), one F(2), one F(5), and one F(6) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(5) atom to form edge-sharing AlO3F3 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(6) atom to form edge-sharing AlO3F3 octahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one F(2), and one F(4) atom. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one Mg(1), one H(4), one F(1), one F(3), and one F(6) atom. 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(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Pb(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Al(1), one Al(2), one Pb(1), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Al(1), one Pb(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Al(2), one Pb(1), and one H(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Pb(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Mg(1), one Al(2), and one Pb(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one Pb(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(2) and one Pb(1) atom. In the fifth F site, F(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Al(1) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mg(1), one Al(2), and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAl2H4Pb2(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.625
_cell_length_b   7.199
_cell_length_c   5.148
_cell_angle_alpha   90.227
_cell_angle_beta   110.019
_cell_angle_gamma   109.570
_symmetry_Int_Tables_number   1
_cell_volume   247.921
_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
  Mg  Mg0  1  0.563  0.114  0.150  1.0
  Al  Al1  1  0.195  0.689  0.165  1.0
  Al  Al2  1  0.823  0.338  0.834  1.0
  H  H3  1  0.158  0.435  0.767  1.0
  H  H4  1  0.870  0.538  0.284  1.0
  H  H5  1  0.136  0.866  0.744  1.0
  H  H6  1  0.929  0.155  0.238  1.0
  Pb  Pb7  1  0.750  0.793  0.788  1.0
  Pb  Pb8  1  0.271  0.208  0.330  1.0
  O  O9  1  0.103  0.446  0.909  1.0
  O  O10  1  0.911  0.557  0.121  1.0
  O  O11  1  0.093  0.854  0.905  1.0
  O  O12  1  0.810  0.132  0.062  1.0
  F  F13  1  0.232  0.864  0.453  1.0
  F  F14  1  0.748  0.136  0.551  1.0
  F  F15  1  0.328  0.572  0.441  1.0
  F  F16  1  0.771  0.494  0.555  1.0
  F  F17  1  0.438  0.819  0.121  1.0
  F  F18  1  0.557  0.277  0.820  1.0
[/CIF]
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