The material structure described by BaMgAl3P2(HO7)2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(10), and two equivalent O(9) atoms. In the second Al site, Al(2) is bonded to one O(10), one O(5), one O(7), one O(8), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Al(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(4), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Al(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one Al(1), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Al(2), and one O(10) atom. is represented by the CIF file [CIF]
data_BaMgAl3P2(HO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.878
_cell_length_b   6.878
_cell_length_c   8.128
_cell_angle_alpha   66.426
_cell_angle_beta   113.574
_cell_angle_gamma   119.296
_symmetry_Int_Tables_number   1
_cell_volume   297.160
_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
  Ba  Ba0  1  0.029  0.971  0.086  1.0
  Mg  Mg1  1  0.772  0.228  0.322  1.0
  Al  Al2  1  0.023  0.977  0.595  1.0
  Al  Al3  1  0.514  0.942  0.594  1.0
  Al  Al4  1  0.058  0.486  0.594  1.0
  P  P5  1  0.294  0.706  0.917  1.0
  P  P6  1  0.664  0.336  0.987  1.0
  H  H7  1  0.392  0.608  0.490  1.0
  H  H8  1  0.653  0.347  0.615  1.0
  O  O9  1  0.358  0.642  0.122  1.0
  O  O10  1  0.599  0.401  0.780  1.0
  O  O11  1  0.143  0.857  0.831  1.0
  O  O12  1  0.813  0.187  0.094  1.0
  O  O13  1  0.146  0.489  0.830  1.0
  O  O14  1  0.511  0.854  0.830  1.0
  O  O15  1  0.466  0.194  0.093  1.0
  O  O16  1  0.806  0.534  0.093  1.0
  O  O17  1  0.314  0.686  0.501  1.0
  O  O18  1  0.713  0.287  0.558  1.0
  O  O19  1  0.725  0.929  0.528  1.0
  O  O20  1  0.071  0.275  0.528  1.0
  O  O21  1  0.001  0.775  0.476  1.0
  O  O22  1  0.225  0.999  0.476  1.0
[/CIF]
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The material structure described by BaMgAl3P2(HO7)2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. Mg(1) is bonded in a 6-coordinate geometry to one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(10), and two equivalent O(9) atoms. In the second Al site, Al(2) is bonded to one O(10), one O(5), one O(7), one O(8), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Al(2)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Al(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(2), one O(4), and two equivalent O(6) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Al(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Al(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Al(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Mg(1), one Al(1), and one Al(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Al(2), and one O(10) atom. is represented by the CIF file [CIF]
data_BaMgAl3P2(HO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.878
_cell_length_b   6.878
_cell_length_c   8.128
_cell_angle_alpha   66.426
_cell_angle_beta   113.574
_cell_angle_gamma   119.296
_symmetry_Int_Tables_number   1
_cell_volume   297.160
_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
  Ba  Ba0  1  0.029  0.971  0.086  1.0
  Mg  Mg1  1  0.772  0.228  0.322  1.0
  Al  Al2  1  0.023  0.977  0.595  1.0
  Al  Al3  1  0.514  0.942  0.594  1.0
  Al  Al4  1  0.058  0.486  0.594  1.0
  P  P5  1  0.294  0.706  0.917  1.0
  P  P6  1  0.664  0.336  0.987  1.0
  H  H7  1  0.392  0.608  0.490  1.0
  H  H8  1  0.653  0.347  0.615  1.0
  O  O9  1  0.358  0.642  0.122  1.0
  O  O10  1  0.599  0.401  0.780  1.0
  O  O11  1  0.143  0.857  0.831  1.0
  O  O12  1  0.813  0.187  0.094  1.0
  O  O13  1  0.146  0.489  0.830  1.0
  O  O14  1  0.511  0.854  0.830  1.0
  O  O15  1  0.466  0.194  0.093  1.0
  O  O16  1  0.806  0.534  0.093  1.0
  O  O17  1  0.314  0.686  0.501  1.0
  O  O18  1  0.713  0.287  0.558  1.0
  O  O19  1  0.725  0.929  0.528  1.0
  O  O20  1  0.071  0.275  0.528  1.0
  O  O21  1  0.001  0.775  0.476  1.0
  O  O22  1  0.225  0.999  0.476  1.0
[/CIF]
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