The crystal structure described by MnAlSiO5 crystallizes in the orthorhombic Pnnm space group. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with four equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O6 octahedra. Al(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form AlO5 trigonal bipyramids that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-63°. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-73°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAlSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   8.093
_cell_length_c   8.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.179
_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
  Mn  Mn0  1  0.255  0.000  0.000  1.0
  Mn  Mn1  1  0.745  0.000  0.000  1.0
  Mn  Mn2  1  0.245  0.500  0.500  1.0
  Mn  Mn3  1  0.755  0.500  0.500  1.0
  Al  Al4  1  0.000  0.624  0.137  1.0
  Al  Al5  1  0.000  0.376  0.863  1.0
  Al  Al6  1  0.500  0.876  0.637  1.0
  Al  Al7  1  0.500  0.124  0.363  1.0
  Si  Si8  1  0.000  0.251  0.245  1.0
  Si  Si9  1  0.000  0.749  0.755  1.0
  Si  Si10  1  0.500  0.249  0.745  1.0
  Si  Si11  1  0.500  0.751  0.255  1.0
  O  O12  1  0.000  0.396  0.101  1.0
  O  O13  1  0.000  0.604  0.899  1.0
  O  O14  1  0.500  0.104  0.601  1.0
  O  O15  1  0.500  0.896  0.399  1.0
  O  O16  1  0.000  0.575  0.361  1.0
  O  O17  1  0.000  0.425  0.639  1.0
  O  O18  1  0.500  0.925  0.861  1.0
  O  O19  1  0.500  0.075  0.139  1.0
  O  O20  1  0.239  0.252  0.355  1.0
  O  O21  1  0.761  0.748  0.645  1.0
  O  O22  1  0.239  0.748  0.645  1.0
  O  O23  1  0.261  0.248  0.855  1.0
  O  O24  1  0.761  0.252  0.355  1.0
  O  O25  1  0.739  0.752  0.145  1.0
  O  O26  1  0.261  0.752  0.145  1.0
  O  O27  1  0.739  0.248  0.855  1.0
  O  O28  1  0.000  0.075  0.139  1.0
  O  O29  1  0.000  0.925  0.861  1.0
  O  O30  1  0.500  0.425  0.639  1.0
  O  O31  1  0.500  0.575  0.361  1.0
[/CIF]
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The crystal structure described by MnAlSiO5 crystallizes in the orthorhombic Pnnm space group. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra, corners with four equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Mn(1)O6 octahedra. Al(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form AlO5 trigonal bipyramids that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-63°. Si(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with four equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-73°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Al(1) and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnAlSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.724
_cell_length_b   8.093
_cell_length_c   8.207
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.179
_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
  Mn  Mn0  1  0.255  0.000  0.000  1.0
  Mn  Mn1  1  0.745  0.000  0.000  1.0
  Mn  Mn2  1  0.245  0.500  0.500  1.0
  Mn  Mn3  1  0.755  0.500  0.500  1.0
  Al  Al4  1  0.000  0.624  0.137  1.0
  Al  Al5  1  0.000  0.376  0.863  1.0
  Al  Al6  1  0.500  0.876  0.637  1.0
  Al  Al7  1  0.500  0.124  0.363  1.0
  Si  Si8  1  0.000  0.251  0.245  1.0
  Si  Si9  1  0.000  0.749  0.755  1.0
  Si  Si10  1  0.500  0.249  0.745  1.0
  Si  Si11  1  0.500  0.751  0.255  1.0
  O  O12  1  0.000  0.396  0.101  1.0
  O  O13  1  0.000  0.604  0.899  1.0
  O  O14  1  0.500  0.104  0.601  1.0
  O  O15  1  0.500  0.896  0.399  1.0
  O  O16  1  0.000  0.575  0.361  1.0
  O  O17  1  0.000  0.425  0.639  1.0
  O  O18  1  0.500  0.925  0.861  1.0
  O  O19  1  0.500  0.075  0.139  1.0
  O  O20  1  0.239  0.252  0.355  1.0
  O  O21  1  0.761  0.748  0.645  1.0
  O  O22  1  0.239  0.748  0.645  1.0
  O  O23  1  0.261  0.248  0.855  1.0
  O  O24  1  0.761  0.252  0.355  1.0
  O  O25  1  0.739  0.752  0.145  1.0
  O  O26  1  0.261  0.752  0.145  1.0
  O  O27  1  0.739  0.248  0.855  1.0
  O  O28  1  0.000  0.075  0.139  1.0
  O  O29  1  0.000  0.925  0.861  1.0
  O  O30  1  0.500  0.425  0.639  1.0
  O  O31  1  0.500  0.575  0.361  1.0
[/CIF]
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