The crystal structure described by BaMnGaF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(7), two equivalent F(1), two equivalent F(3), two equivalent F(6), and three equivalent F(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(6) atoms. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(7) atoms to form MnF6 octahedra that share corners with four equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. Ga(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form GaF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Ga(1) atom. In the second F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one Ga(1) atom. In the third F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mn(2), and one Ga(1) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Ga(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Ga(1) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_BaMnGaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.503
_cell_length_b   7.503
_cell_length_c   14.913
_cell_angle_alpha   88.924
_cell_angle_beta   88.924
_cell_angle_gamma   41.993
_symmetry_Int_Tables_number   1
_cell_volume   561.599
_cell_formula_units_Z   4
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  0.766  0.855  0.622  1.0
  Ba  Ba1  1  0.855  0.766  0.122  1.0
  Ba  Ba2  1  0.145  0.234  0.878  1.0
  Ba  Ba3  1  0.234  0.145  0.378  1.0
  Mn  Mn4  1  0.455  0.545  0.750  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.545  0.455  0.250  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.116  0.123  0.126  1.0
  Ga  Ga9  1  0.123  0.116  0.626  1.0
  Ga  Ga10  1  0.877  0.884  0.374  1.0
  Ga  Ga11  1  0.884  0.877  0.874  1.0
  F  F12  1  0.428  0.830  0.546  1.0
  F  F13  1  0.639  0.474  0.871  1.0
  F  F14  1  0.050  0.621  0.778  1.0
  F  F15  1  0.895  0.116  0.341  1.0
  F  F16  1  0.621  0.050  0.278  1.0
  F  F17  1  0.361  0.526  0.129  1.0
  F  F18  1  0.572  0.170  0.454  1.0
  F  F19  1  0.695  0.809  0.911  1.0
  F  F20  1  0.474  0.639  0.371  1.0
  F  F21  1  0.398  0.842  0.203  1.0
  F  F22  1  0.379  0.950  0.722  1.0
  F  F23  1  0.191  0.305  0.589  1.0
  F  F24  1  0.884  0.105  0.159  1.0
  F  F25  1  0.170  0.572  0.954  1.0
  F  F26  1  0.526  0.361  0.629  1.0
  F  F27  1  0.305  0.191  0.089  1.0
  F  F28  1  0.747  0.089  0.980  1.0
  F  F29  1  0.089  0.747  0.480  1.0
  F  F30  1  0.253  0.911  0.020  1.0
  F  F31  1  0.602  0.158  0.797  1.0
  F  F32  1  0.116  0.895  0.841  1.0
  F  F33  1  0.105  0.884  0.659  1.0
  F  F34  1  0.950  0.379  0.222  1.0
  F  F35  1  0.158  0.602  0.297  1.0
  F  F36  1  0.911  0.253  0.520  1.0
  F  F37  1  0.842  0.398  0.703  1.0
  F  F38  1  0.830  0.428  0.046  1.0
  F  F39  1  0.809  0.695  0.411  1.0
[/CIF]
.
The crystal structure described by BaMnGaF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(7), two equivalent F(1), two equivalent F(3), two equivalent F(6), and three equivalent F(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(4), and two equivalent F(6) atoms. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(7) atoms to form MnF6 octahedra that share corners with four equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. Ga(1) is bonded to one F(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form GaF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Ga(1) atom. In the second F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(2), and one Ga(1) atom. In the third F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mn(2), and one Ga(1) atom. In the fourth F site, F(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), and one Mn(2) atom. In the fifth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Ga(1) atom. In the sixth F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Ga(1) atom. In the seventh F site, F(5) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_BaMnGaF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.503
_cell_length_b   7.503
_cell_length_c   14.913
_cell_angle_alpha   88.924
_cell_angle_beta   88.924
_cell_angle_gamma   41.993
_symmetry_Int_Tables_number   1
_cell_volume   561.599
_cell_formula_units_Z   4
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  0.766  0.855  0.622  1.0
  Ba  Ba1  1  0.855  0.766  0.122  1.0
  Ba  Ba2  1  0.145  0.234  0.878  1.0
  Ba  Ba3  1  0.234  0.145  0.378  1.0
  Mn  Mn4  1  0.455  0.545  0.750  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.545  0.455  0.250  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  Ga  Ga8  1  0.116  0.123  0.126  1.0
  Ga  Ga9  1  0.123  0.116  0.626  1.0
  Ga  Ga10  1  0.877  0.884  0.374  1.0
  Ga  Ga11  1  0.884  0.877  0.874  1.0
  F  F12  1  0.428  0.830  0.546  1.0
  F  F13  1  0.639  0.474  0.871  1.0
  F  F14  1  0.050  0.621  0.778  1.0
  F  F15  1  0.895  0.116  0.341  1.0
  F  F16  1  0.621  0.050  0.278  1.0
  F  F17  1  0.361  0.526  0.129  1.0
  F  F18  1  0.572  0.170  0.454  1.0
  F  F19  1  0.695  0.809  0.911  1.0
  F  F20  1  0.474  0.639  0.371  1.0
  F  F21  1  0.398  0.842  0.203  1.0
  F  F22  1  0.379  0.950  0.722  1.0
  F  F23  1  0.191  0.305  0.589  1.0
  F  F24  1  0.884  0.105  0.159  1.0
  F  F25  1  0.170  0.572  0.954  1.0
  F  F26  1  0.526  0.361  0.629  1.0
  F  F27  1  0.305  0.191  0.089  1.0
  F  F28  1  0.747  0.089  0.980  1.0
  F  F29  1  0.089  0.747  0.480  1.0
  F  F30  1  0.253  0.911  0.020  1.0
  F  F31  1  0.602  0.158  0.797  1.0
  F  F32  1  0.116  0.895  0.841  1.0
  F  F33  1  0.105  0.884  0.659  1.0
  F  F34  1  0.950  0.379  0.222  1.0
  F  F35  1  0.158  0.602  0.297  1.0
  F  F36  1  0.911  0.253  0.520  1.0
  F  F37  1  0.842  0.398  0.703  1.0
  F  F38  1  0.830  0.428  0.046  1.0
  F  F39  1  0.809  0.695  0.411  1.0
[/CIF]
.