The compound described by Mg3Mn5(BO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(3) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Mg site, Mg(2) is bonded to one O(12), one O(9), two equivalent O(14), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the third Mg site, Mg(3) is bonded to one O(13), one O(16), two equivalent O(11), and two equivalent O(2) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(15), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(16), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Mn site, Mn(3) is bonded to one O(6), one O(8), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(16), two equivalent O(1), and two equivalent O(12) atoms to form MnO6 octahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(14), and one O(15) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra and edges with two equivalent O(16)MgMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(3) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one B(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. In the ninth O site, O(9) is bonded to one Mg(2), one Mn(4), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Mg(3), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent Mn(5), and one B(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(3), two equivalent Mn(4), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent Mg(2), one Mn(5), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(4) atom. In the sixteenth O site, O(16) is bonded to one Mg(3), one Mn(5), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(16)MgMn3 tetrahedra and edges with two equivalent O(1)Mn4 tetrahedra. is represented by the CIF card [CIF]
data_Mg3Mn5(BO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.242
_cell_length_b   9.394
_cell_length_c   9.500
_cell_angle_alpha   89.993
_cell_angle_beta   94.161
_cell_angle_gamma   90.179
_symmetry_Int_Tables_number   1
_cell_volume   288.532
_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
  Mg  Mg0  1  0.744  0.183  0.397  1.0
  Mg  Mg1  1  0.256  0.817  0.602  1.0
  Mg  Mg2  1  0.742  0.317  0.898  1.0
  Mn  Mn3  1  0.255  0.686  0.102  1.0
  Mn  Mn4  1  0.249  0.065  0.119  1.0
  Mn  Mn5  1  0.755  0.563  0.384  1.0
  Mn  Mn6  1  0.247  0.435  0.619  1.0
  Mn  Mn7  1  0.754  0.939  0.877  1.0
  B  B8  1  0.274  0.367  0.164  1.0
  B  B9  1  0.728  0.870  0.340  1.0
  B  B10  1  0.272  0.133  0.662  1.0
  B  B11  1  0.727  0.631  0.833  1.0
  O  O12  1  0.216  0.888  0.012  1.0
  O  O13  1  0.265  0.364  0.021  1.0
  O  O14  1  0.244  0.241  0.242  1.0
  O  O15  1  0.309  0.497  0.238  1.0
  O  O16  1  0.700  0.998  0.266  1.0
  O  O17  1  0.759  0.741  0.265  1.0
  O  O18  1  0.734  0.867  0.483  1.0
  O  O19  1  0.776  0.386  0.488  1.0
  O  O20  1  0.226  0.612  0.514  1.0
  O  O21  1  0.266  0.136  0.520  1.0
  O  O22  1  0.243  0.259  0.740  1.0
  O  O23  1  0.300  0.002  0.734  1.0
  O  O24  1  0.696  0.501  0.762  1.0
  O  O25  1  0.755  0.759  0.758  1.0
  O  O26  1  0.734  0.631  0.975  1.0
  O  O27  1  0.773  0.113  0.986  1.0
[/CIF]
.
The compound described by Mg3Mn5(BO4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(3) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Mg site, Mg(2) is bonded to one O(12), one O(9), two equivalent O(14), and two equivalent O(7) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the third Mg site, Mg(3) is bonded to one O(13), one O(16), two equivalent O(11), and two equivalent O(2) atoms to form MgO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(15), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(16), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-67°. In the third Mn site, Mn(3) is bonded to one O(6), one O(8), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(9), two equivalent O(13), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mg(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(16), two equivalent O(1), and two equivalent O(12) atoms to form MnO6 octahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(13), one O(14), and one O(15) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(5) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra and edges with two equivalent O(16)MgMn3 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(3) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Mn(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one B(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(4) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. In the ninth O site, O(9) is bonded to one Mg(2), one Mn(4), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Mg(3), one Mn(4), and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent Mn(5), and one B(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Mg(3), two equivalent Mn(4), and one B(4) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to two equivalent Mg(2), one Mn(5), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one B(4) atom. In the sixteenth O site, O(16) is bonded to one Mg(3), one Mn(5), and two equivalent Mn(2) atoms to form distorted OMgMn3 tetrahedra that share corners with two equivalent O(16)MgMn3 tetrahedra and edges with two equivalent O(1)Mn4 tetrahedra. is represented by the CIF card [CIF]
data_Mg3Mn5(BO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.242
_cell_length_b   9.394
_cell_length_c   9.500
_cell_angle_alpha   89.993
_cell_angle_beta   94.161
_cell_angle_gamma   90.179
_symmetry_Int_Tables_number   1
_cell_volume   288.532
_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
  Mg  Mg0  1  0.744  0.183  0.397  1.0
  Mg  Mg1  1  0.256  0.817  0.602  1.0
  Mg  Mg2  1  0.742  0.317  0.898  1.0
  Mn  Mn3  1  0.255  0.686  0.102  1.0
  Mn  Mn4  1  0.249  0.065  0.119  1.0
  Mn  Mn5  1  0.755  0.563  0.384  1.0
  Mn  Mn6  1  0.247  0.435  0.619  1.0
  Mn  Mn7  1  0.754  0.939  0.877  1.0
  B  B8  1  0.274  0.367  0.164  1.0
  B  B9  1  0.728  0.870  0.340  1.0
  B  B10  1  0.272  0.133  0.662  1.0
  B  B11  1  0.727  0.631  0.833  1.0
  O  O12  1  0.216  0.888  0.012  1.0
  O  O13  1  0.265  0.364  0.021  1.0
  O  O14  1  0.244  0.241  0.242  1.0
  O  O15  1  0.309  0.497  0.238  1.0
  O  O16  1  0.700  0.998  0.266  1.0
  O  O17  1  0.759  0.741  0.265  1.0
  O  O18  1  0.734  0.867  0.483  1.0
  O  O19  1  0.776  0.386  0.488  1.0
  O  O20  1  0.226  0.612  0.514  1.0
  O  O21  1  0.266  0.136  0.520  1.0
  O  O22  1  0.243  0.259  0.740  1.0
  O  O23  1  0.300  0.002  0.734  1.0
  O  O24  1  0.696  0.501  0.762  1.0
  O  O25  1  0.755  0.759  0.758  1.0
  O  O26  1  0.734  0.631  0.975  1.0
  O  O27  1  0.773  0.113  0.986  1.0
[/CIF]
.