The structure described by MgMn2(B4O7)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to one Mn(2), one O(1), four equivalent O(5), and four equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), and four equivalent O(6) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), two equivalent Mn(1), and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1), two equivalent Mn(2), and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one B(1) and two equivalent B(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one B(2), and two equivalent B(3) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Mn(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one B(2), and one B(3) atom to form a mixture of distorted edge and corner-sharing OMgMnB2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn2(B4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   6.605
_cell_length_c   6.605
_cell_angle_alpha   115.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.082
_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  0.250  0.522  0.522  1.0
  Mn  Mn1  1  0.750  0.758  0.758  1.0
  Mn  Mn2  1  0.250  0.178  0.178  1.0
  B  B3  1  0.750  0.346  0.114  1.0
  B  B4  1  0.250  0.922  0.668  1.0
  B  B5  1  0.992  0.717  0.286  1.0
  B  B6  1  0.992  0.286  0.717  1.0
  B  B7  1  0.508  0.286  0.717  1.0
  B  B8  1  0.750  0.114  0.346  1.0
  B  B9  1  0.250  0.668  0.922  1.0
  B  B10  1  0.508  0.717  0.286  1.0
  O  O11  1  0.250  0.869  0.869  1.0
  O  O12  1  0.750  0.138  0.138  1.0
  O  O13  1  0.750  0.243  0.821  1.0
  O  O14  1  0.250  0.178  0.764  1.0
  O  O15  1  0.522  0.190  0.475  1.0
  O  O16  1  0.471  0.531  0.809  1.0
  O  O17  1  0.978  0.190  0.475  1.0
  O  O18  1  0.750  0.821  0.243  1.0
  O  O19  1  0.522  0.475  0.190  1.0
  O  O20  1  0.471  0.809  0.531  1.0
  O  O21  1  0.978  0.475  0.190  1.0
  O  O22  1  0.250  0.764  0.178  1.0
  O  O23  1  0.029  0.531  0.809  1.0
  O  O24  1  0.029  0.809  0.531  1.0
[/CIF]
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The structure described by MgMn2(B4O7)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to one Mn(2), one O(1), four equivalent O(5), and four equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), and four equivalent O(6) atoms. In the second Mn site, Mn(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(5) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), two equivalent Mn(1), and two equivalent B(2) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1), two equivalent Mn(2), and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one B(1) and two equivalent B(3) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one B(2), and two equivalent B(3) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one Mn(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one B(2), and one B(3) atom to form a mixture of distorted edge and corner-sharing OMgMnB2 trigonal pyramids. is represented by the CIF card [CIF]
data_MgMn2(B4O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   6.605
_cell_length_c   6.605
_cell_angle_alpha   115.552
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.082
_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  0.250  0.522  0.522  1.0
  Mn  Mn1  1  0.750  0.758  0.758  1.0
  Mn  Mn2  1  0.250  0.178  0.178  1.0
  B  B3  1  0.750  0.346  0.114  1.0
  B  B4  1  0.250  0.922  0.668  1.0
  B  B5  1  0.992  0.717  0.286  1.0
  B  B6  1  0.992  0.286  0.717  1.0
  B  B7  1  0.508  0.286  0.717  1.0
  B  B8  1  0.750  0.114  0.346  1.0
  B  B9  1  0.250  0.668  0.922  1.0
  B  B10  1  0.508  0.717  0.286  1.0
  O  O11  1  0.250  0.869  0.869  1.0
  O  O12  1  0.750  0.138  0.138  1.0
  O  O13  1  0.750  0.243  0.821  1.0
  O  O14  1  0.250  0.178  0.764  1.0
  O  O15  1  0.522  0.190  0.475  1.0
  O  O16  1  0.471  0.531  0.809  1.0
  O  O17  1  0.978  0.190  0.475  1.0
  O  O18  1  0.750  0.821  0.243  1.0
  O  O19  1  0.522  0.475  0.190  1.0
  O  O20  1  0.471  0.809  0.531  1.0
  O  O21  1  0.978  0.475  0.190  1.0
  O  O22  1  0.250  0.764  0.178  1.0
  O  O23  1  0.029  0.531  0.809  1.0
  O  O24  1  0.029  0.809  0.531  1.0
[/CIF]
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