The structure described by BaMgMo(PO4)2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mo(1), and one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BaMgMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   8.150
_cell_angle_alpha   86.311
_cell_angle_beta   86.311
_cell_angle_gamma   64.138
_symmetry_Int_Tables_number   1
_cell_volume   194.285
_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  0.005  0.005  0.015  1.0
  Mg  Mg1  1  0.321  0.321  0.687  1.0
  Mo  Mo2  1  0.001  0.001  0.496  1.0
  P  P3  1  0.368  0.368  0.297  1.0
  P  P4  1  0.630  0.630  0.721  1.0
  O  O5  1  0.739  0.295  0.688  1.0
  O  O6  1  0.669  0.669  0.899  1.0
  O  O7  1  0.238  0.703  0.310  1.0
  O  O8  1  0.249  0.249  0.455  1.0
  O  O9  1  0.764  0.764  0.588  1.0
  O  O10  1  0.703  0.238  0.310  1.0
  O  O11  1  0.292  0.292  0.137  1.0
  O  O12  1  0.295  0.739  0.688  1.0
[/CIF]
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The structure described by BaMgMo(PO4)2 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(4) and two equivalent O(1) atoms. Mo(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(4), one O(6), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mo(1), and one P(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_BaMgMo(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   8.150
_cell_angle_alpha   86.311
_cell_angle_beta   86.311
_cell_angle_gamma   64.138
_symmetry_Int_Tables_number   1
_cell_volume   194.285
_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  0.005  0.005  0.015  1.0
  Mg  Mg1  1  0.321  0.321  0.687  1.0
  Mo  Mo2  1  0.001  0.001  0.496  1.0
  P  P3  1  0.368  0.368  0.297  1.0
  P  P4  1  0.630  0.630  0.721  1.0
  O  O5  1  0.739  0.295  0.688  1.0
  O  O6  1  0.669  0.669  0.899  1.0
  O  O7  1  0.238  0.703  0.310  1.0
  O  O8  1  0.249  0.249  0.455  1.0
  O  O9  1  0.764  0.764  0.588  1.0
  O  O10  1  0.703  0.238  0.310  1.0
  O  O11  1  0.292  0.292  0.137  1.0
  O  O12  1  0.295  0.739  0.688  1.0
[/CIF]
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