The material described by Ba2MgFe2B2(P2O9)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(2), one O(3), one O(4), one O(7), and two equivalent O(13) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(16), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(14) atoms. Mg(1) is bonded to one O(1), one O(11), one O(14), one O(18), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(17), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(17), and one O(18) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(17), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second B site, B(2) is bonded to one O(16), one O(18), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Ba(2), one B(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one B(2) atom. is represented by the CIF card [CIF]
data_Ba2MgFe2B2(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   8.292
_cell_length_c   8.287
_cell_angle_alpha   89.568
_cell_angle_beta   80.337
_cell_angle_gamma   87.760
_symmetry_Int_Tables_number   1
_cell_volume   363.664
_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  0.260  0.697  0.898  1.0
  Ba  Ba1  1  0.703  0.322  0.133  1.0
  Mg  Mg2  1  0.243  0.217  0.817  1.0
  Fe  Fe3  1  0.721  0.803  0.215  1.0
  Fe  Fe4  1  0.503  0.021  0.512  1.0
  B  B5  1  0.864  0.748  0.560  1.0
  B  B6  1  0.097  0.266  0.473  1.0
  P  P7  1  0.777  0.438  0.717  1.0
  P  P8  1  0.181  0.574  0.314  1.0
  P  P9  1  0.764  0.952  0.829  1.0
  P  P10  1  0.206  0.070  0.202  1.0
  O  O11  1  0.528  0.387  0.821  1.0
  O  O12  1  0.428  0.625  0.209  1.0
  O  O13  1  0.966  0.579  0.211  1.0
  O  O14  1  0.992  0.432  0.820  1.0
  O  O15  1  0.846  0.333  0.559  1.0
  O  O16  1  0.111  0.678  0.473  1.0
  O  O17  1  0.717  0.616  0.662  1.0
  O  O18  1  0.240  0.397  0.369  1.0
  O  O19  1  0.900  0.096  0.877  1.0
  O  O20  1  0.088  0.919  0.151  1.0
  O  O21  1  0.507  0.999  0.773  1.0
  O  O22  1  0.468  0.036  0.257  1.0
  O  O23  1  0.714  0.822  0.965  1.0
  O  O24  1  0.241  0.202  0.067  1.0
  O  O25  1  0.946  0.862  0.682  1.0
  O  O26  1  0.015  0.149  0.352  1.0
  O  O27  1  0.708  0.823  0.460  1.0
  O  O28  1  0.253  0.195  0.576  1.0
[/CIF]
.
The material described by Ba2MgFe2B2(P2O9)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(2), one O(3), one O(4), one O(7), and two equivalent O(13) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), one O(12), one O(16), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(14) atoms. Mg(1) is bonded to one O(1), one O(11), one O(14), one O(18), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one B(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(13), one O(17), one O(2), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(17), and one O(18) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(15), one O(17), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second B site, B(2) is bonded to one O(16), one O(18), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-59°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-47°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and  a cornercorner with one B(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one B(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one B(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one B(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Fe(1), one Fe(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Mg(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Ba(2), one B(2), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(2), and one B(2) atom. is represented by the CIF card [CIF]
data_Ba2MgFe2B2(P2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.373
_cell_length_b   8.292
_cell_length_c   8.287
_cell_angle_alpha   89.568
_cell_angle_beta   80.337
_cell_angle_gamma   87.760
_symmetry_Int_Tables_number   1
_cell_volume   363.664
_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  0.260  0.697  0.898  1.0
  Ba  Ba1  1  0.703  0.322  0.133  1.0
  Mg  Mg2  1  0.243  0.217  0.817  1.0
  Fe  Fe3  1  0.721  0.803  0.215  1.0
  Fe  Fe4  1  0.503  0.021  0.512  1.0
  B  B5  1  0.864  0.748  0.560  1.0
  B  B6  1  0.097  0.266  0.473  1.0
  P  P7  1  0.777  0.438  0.717  1.0
  P  P8  1  0.181  0.574  0.314  1.0
  P  P9  1  0.764  0.952  0.829  1.0
  P  P10  1  0.206  0.070  0.202  1.0
  O  O11  1  0.528  0.387  0.821  1.0
  O  O12  1  0.428  0.625  0.209  1.0
  O  O13  1  0.966  0.579  0.211  1.0
  O  O14  1  0.992  0.432  0.820  1.0
  O  O15  1  0.846  0.333  0.559  1.0
  O  O16  1  0.111  0.678  0.473  1.0
  O  O17  1  0.717  0.616  0.662  1.0
  O  O18  1  0.240  0.397  0.369  1.0
  O  O19  1  0.900  0.096  0.877  1.0
  O  O20  1  0.088  0.919  0.151  1.0
  O  O21  1  0.507  0.999  0.773  1.0
  O  O22  1  0.468  0.036  0.257  1.0
  O  O23  1  0.714  0.822  0.965  1.0
  O  O24  1  0.241  0.202  0.067  1.0
  O  O25  1  0.946  0.862  0.682  1.0
  O  O26  1  0.015  0.149  0.352  1.0
  O  O27  1  0.708  0.823  0.460  1.0
  O  O28  1  0.253  0.195  0.576  1.0
[/CIF]
.