The compound described by Ba3SrMg4F16 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one F(12), one F(13), two equivalent F(16), two equivalent F(3), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(14), two equivalent F(15), two equivalent F(4), and two equivalent F(7) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one F(15), one F(3), one F(9), two equivalent F(1), two equivalent F(13), and two equivalent F(5) atoms. Sr(1) is bonded in a 9-coordinate geometry to one F(10), one F(16), one F(4), two equivalent F(14), two equivalent F(2), and two equivalent F(6) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(13), one F(2), one F(5), one F(7), and two equivalent F(9) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 7-38°. In the second Mg site, Mg(2) is bonded to one F(1), one F(14), one F(6), one F(8), and two equivalent F(10) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the third Mg site, Mg(3) is bonded to one F(15), one F(3), one F(6), one F(7), and two equivalent F(11) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 4-38°. In the fourth Mg site, Mg(4) is bonded to one F(16), one F(4), one F(5), one F(8), and two equivalent F(12) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(3), and one Mg(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Mg(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Mg(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Sr(1), and one Mg(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(3), one Mg(1), and one Mg(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Sr(1), one Mg(2), and one Mg(3) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Mg(1), and one Mg(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(2), and one Mg(4) atom. In the ninth F site, F(9) is bonded in a distorted linear geometry to one Ba(3) and two equivalent Mg(1) atoms. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Mg(2) atoms. In the eleventh F site, F(11) is bonded in a distorted linear geometry to one Ba(2) and two equivalent Mg(3) atoms. In the twelfth F site, F(12) is bonded in a distorted linear geometry to one Ba(1) and two equivalent Mg(4) atoms. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(3), and one Mg(1) atom. In the fourteenth F site, F(14) is bonded to one Ba(2), two equivalent Sr(1), and one Mg(2) atom to form distorted corner-sharing FBaSr2Mg tetrahedra. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(2), and one Mg(3) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), and one Mg(4) atom. is represented by the CIF card [CIF]
data_Ba3SrMg4F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   9.607
_cell_length_c   9.729
_cell_angle_alpha   80.003
_cell_angle_beta   102.234
_cell_angle_gamma   77.608
_symmetry_Int_Tables_number   1
_cell_volume   357.988
_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  0.926  0.423  0.276  1.0
  Ba  Ba1  1  0.427  0.922  0.776  1.0
  Ba  Ba2  1  0.177  0.472  0.827  1.0
  Sr  Sr3  1  0.682  0.978  0.341  1.0
  Mg  Mg4  1  0.912  0.174  0.997  1.0
  Mg  Mg5  1  0.400  0.685  0.485  1.0
  Mg  Mg6  1  0.156  0.761  0.073  1.0
  Mg  Mg7  1  0.657  0.258  0.572  1.0
  F  F8  1  0.534  0.630  0.698  1.0
  F  F9  1  0.052  0.107  0.210  1.0
  F  F10  1  0.291  0.545  0.127  1.0
  F  F11  1  0.789  0.043  0.622  1.0
  F  F12  1  0.750  0.276  0.776  1.0
  F  F13  1  0.246  0.782  0.274  1.0
  F  F14  1  0.996  0.975  0.966  1.0
  F  F15  1  0.497  0.476  0.469  1.0
  F  F16  1  0.402  0.179  0.984  1.0
  F  F17  1  0.892  0.691  0.475  1.0
  F  F18  1  0.651  0.768  0.070  1.0
  F  F19  1  0.150  0.270  0.571  1.0
  F  F20  1  0.813  0.383  0.009  1.0
  F  F21  1  0.300  0.897  0.496  1.0
  F  F22  1  0.062  0.742  0.865  1.0
  F  F23  1  0.564  0.237  0.365  1.0
[/CIF]
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The compound described by Ba3SrMg4F16 crystallizes in the monoclinic Cm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one F(12), one F(13), two equivalent F(16), two equivalent F(3), and two equivalent F(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(11), one F(14), two equivalent F(15), two equivalent F(4), and two equivalent F(7) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one F(15), one F(3), one F(9), two equivalent F(1), two equivalent F(13), and two equivalent F(5) atoms. Sr(1) is bonded in a 9-coordinate geometry to one F(10), one F(16), one F(4), two equivalent F(14), two equivalent F(2), and two equivalent F(6) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(13), one F(2), one F(5), one F(7), and two equivalent F(9) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 7-38°. In the second Mg site, Mg(2) is bonded to one F(1), one F(14), one F(6), one F(8), and two equivalent F(10) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the third Mg site, Mg(3) is bonded to one F(15), one F(3), one F(6), one F(7), and two equivalent F(11) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 4-38°. In the fourth Mg site, Mg(4) is bonded to one F(16), one F(4), one F(5), one F(8), and two equivalent F(12) atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(3), and one Mg(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Mg(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(1), and one Mg(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Sr(1), and one Mg(4) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(3), one Mg(1), and one Mg(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent Sr(1), one Mg(2), and one Mg(3) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(2), one Mg(1), and one Mg(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1), one Mg(2), and one Mg(4) atom. In the ninth F site, F(9) is bonded in a distorted linear geometry to one Ba(3) and two equivalent Mg(1) atoms. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Mg(2) atoms. In the eleventh F site, F(11) is bonded in a distorted linear geometry to one Ba(2) and two equivalent Mg(3) atoms. In the twelfth F site, F(12) is bonded in a distorted linear geometry to one Ba(1) and two equivalent Mg(4) atoms. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(3), and one Mg(1) atom. In the fourteenth F site, F(14) is bonded to one Ba(2), two equivalent Sr(1), and one Mg(2) atom to form distorted corner-sharing FBaSr2Mg tetrahedra. In the fifteenth F site, F(15) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(2), and one Mg(3) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), and one Mg(4) atom. is represented by the CIF card [CIF]
data_Ba3SrMg4F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   9.607
_cell_length_c   9.729
_cell_angle_alpha   80.003
_cell_angle_beta   102.234
_cell_angle_gamma   77.608
_symmetry_Int_Tables_number   1
_cell_volume   357.988
_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  0.926  0.423  0.276  1.0
  Ba  Ba1  1  0.427  0.922  0.776  1.0
  Ba  Ba2  1  0.177  0.472  0.827  1.0
  Sr  Sr3  1  0.682  0.978  0.341  1.0
  Mg  Mg4  1  0.912  0.174  0.997  1.0
  Mg  Mg5  1  0.400  0.685  0.485  1.0
  Mg  Mg6  1  0.156  0.761  0.073  1.0
  Mg  Mg7  1  0.657  0.258  0.572  1.0
  F  F8  1  0.534  0.630  0.698  1.0
  F  F9  1  0.052  0.107  0.210  1.0
  F  F10  1  0.291  0.545  0.127  1.0
  F  F11  1  0.789  0.043  0.622  1.0
  F  F12  1  0.750  0.276  0.776  1.0
  F  F13  1  0.246  0.782  0.274  1.0
  F  F14  1  0.996  0.975  0.966  1.0
  F  F15  1  0.497  0.476  0.469  1.0
  F  F16  1  0.402  0.179  0.984  1.0
  F  F17  1  0.892  0.691  0.475  1.0
  F  F18  1  0.651  0.768  0.070  1.0
  F  F19  1  0.150  0.270  0.571  1.0
  F  F20  1  0.813  0.383  0.009  1.0
  F  F21  1  0.300  0.897  0.496  1.0
  F  F22  1  0.062  0.742  0.865  1.0
  F  F23  1  0.564  0.237  0.365  1.0
[/CIF]
.