The compound described by LaSr2Mn2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded to one O(11), one O(12), one O(7), one O(8), two equivalent O(14), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(12), one O(7), one O(8), two equivalent O(10), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), two equivalent O(13), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), two equivalent O(14), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(5), one O(9), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(3), one O(5), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(6), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(4), one O(6), and two equivalent O(12) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(1), and one Mn(1) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(5)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4LaMn octahedra, corners with four equivalent O(8)Sr4Mn2 octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(4)SrLa4Mn octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(2), and one Mn(3) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(6)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4LaMn octahedra, corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(4)SrLa4Mn octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded to one Sr(1), two equivalent La(1), two equivalent La(2), and one Mn(2) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(5)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  a cornercorner with one O(8)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(4)SrLa4Mn octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, and edges with two equivalent O(4)SrLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent La(1), two equivalent La(2), and one Mn(4) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  a cornercorner with one O(8)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with four equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, and edges with two equivalent O(4)SrLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 1-49°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Mn(1), and one Mn(2) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(1)Sr4LaMn octahedra,  a cornercorner with one O(3)SrLa4Mn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(6)Sr4Mn2 octahedra, corners with four equivalent O(8)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(6) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Mn(3), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(2)Sr4LaMn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(3)SrLa4Mn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(7)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4LaMn octahedra, corners with four equivalent O(6)Sr4Mn2 octahedra, edges with two equivalent O(8)Sr4Mn2 octahedra, faces with two equivalent O(1)Sr4LaMn octahedra, faces with two equivalent O(10)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr4Mn2 octahedra, and faces with two equivalent O(9)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Mn(3) atoms to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(3)SrLa4Mn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(8)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4LaMn octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, faces with two equivalent O(2)Sr4LaMn octahedra, faces with two equivalent O(10)Sr4Mn2 octahedra, faces with two equivalent O(6)Sr4Mn2 octahedra, and faces with two equivalent O(9)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4LaMn octahedra, corners with two equivalent O(2)Sr4LaMn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra, corners with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(9)Sr4Mn2 octahedra,  a faceface with one O(1)Sr4LaMn octahedra,  a faceface with one O(2)Sr4LaMn octahedra,  a faceface with one O(5)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, faces with two equivalent O(7)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4LaMn octahedra, corners with two equivalent O(2)Sr4LaMn octahedra, corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with two equivalent O(4)SrLa4Mn octahedra, edges with two equivalent O(10)Sr4Mn2 octahedra,  a faceface with one O(1)Sr4LaMn octahedra,  a faceface with one O(2)Sr4LaMn octahedra,  a faceface with one O(5)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, faces with two equivalent O(7)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one La(1), one La(2), and two equivalent Mn(2) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one La(1), one La(2), and two equivalent Mn(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(4), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent La(2), one Mn(2), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Sr2LaMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   3.926
_cell_length_c   10.667
_cell_angle_alpha   79.397
_cell_angle_beta   79.615
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   155.667
_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
  La  La0  1  0.316  0.316  0.368  1.0
  Mn  Mn1  1  0.098  0.098  0.804  1.0
  Mn  Mn2  1  0.904  0.904  0.192  1.0
  O  O3  1  0.204  0.204  0.592  1.0
  O  O4  1  0.804  0.804  0.391  1.0
  O  O5  1  0.997  0.997  0.007  1.0
  O  O6  1  0.097  0.597  0.805  1.0
  O  O7  1  0.597  0.097  0.805  1.0
  O  O8  1  0.898  0.398  0.205  1.0
  O  O9  1  0.398  0.898  0.205  1.0
  Sr  Sr10  1  0.682  0.682  0.635  1.0
  Sr  Sr11  1  0.505  0.505  0.991  1.0
[/CIF]
.
The compound described by LaSr2Mn2O7 crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(3), one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(4), one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded to one O(11), one O(12), one O(7), one O(8), two equivalent O(14), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(12), one O(7), one O(8), two equivalent O(10), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), two equivalent O(13), two equivalent O(3), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), two equivalent O(14), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(5), one O(9), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(3), one O(5), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(6), one O(9), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(14), one O(4), one O(6), and two equivalent O(12) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(1), and one Mn(1) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(5)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4LaMn octahedra, corners with four equivalent O(8)Sr4Mn2 octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(4)SrLa4Mn octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one La(2), and one Mn(3) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(6)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4LaMn octahedra, corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(4)SrLa4Mn octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded to one Sr(1), two equivalent La(1), two equivalent La(2), and one Mn(2) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(5)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  a cornercorner with one O(8)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(4)SrLa4Mn octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, and edges with two equivalent O(4)SrLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 0-49°. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent La(1), two equivalent La(2), and one Mn(4) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(6)Sr4Mn2 octahedra,  a cornercorner with one O(7)Sr4Mn2 octahedra,  a cornercorner with one O(8)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with four equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(1)Sr4LaMn octahedra, edges with two equivalent O(2)Sr4LaMn octahedra, edges with two equivalent O(3)SrLa4Mn octahedra, and edges with two equivalent O(4)SrLa4Mn octahedra. The corner-sharing octahedral tilt angles range from 1-49°. In the fifth O site, O(5) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Mn(1), and one Mn(2) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(1)Sr4LaMn octahedra,  a cornercorner with one O(3)SrLa4Mn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(6)Sr4Mn2 octahedra, corners with four equivalent O(8)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(7)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the sixth O site, O(6) is bonded to two equivalent Sr(3), two equivalent Sr(4), one Mn(3), and one Mn(4) atom to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(2)Sr4LaMn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(6)Sr4Mn2 octahedra,  a faceface with one O(10)Sr4Mn2 octahedra,  a faceface with one O(9)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(3)SrLa4Mn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(7)Sr4Mn2 octahedra, corners with four equivalent O(2)Sr4LaMn octahedra, corners with four equivalent O(6)Sr4Mn2 octahedra, edges with two equivalent O(8)Sr4Mn2 octahedra, faces with two equivalent O(1)Sr4LaMn octahedra, faces with two equivalent O(10)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr4Mn2 octahedra, and faces with two equivalent O(9)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-57°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Mn(3) atoms to form distorted OSr4Mn2 octahedra that share  a cornercorner with one O(3)SrLa4Mn octahedra,  a cornercorner with one O(4)SrLa4Mn octahedra, corners with two equivalent O(8)Sr4Mn2 octahedra, corners with four equivalent O(1)Sr4LaMn octahedra, corners with four equivalent O(5)Sr4Mn2 octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, faces with two equivalent O(2)Sr4LaMn octahedra, faces with two equivalent O(10)Sr4Mn2 octahedra, faces with two equivalent O(6)Sr4Mn2 octahedra, and faces with two equivalent O(9)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-58°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4LaMn octahedra, corners with two equivalent O(2)Sr4LaMn octahedra, corners with two equivalent O(10)Sr4Mn2 octahedra, corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra, corners with two equivalent O(3)SrLa4Mn octahedra, edges with two equivalent O(9)Sr4Mn2 octahedra,  a faceface with one O(1)Sr4LaMn octahedra,  a faceface with one O(2)Sr4LaMn octahedra,  a faceface with one O(5)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, faces with two equivalent O(7)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the tenth O site, O(10) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Mn(1), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4LaMn octahedra, corners with two equivalent O(2)Sr4LaMn octahedra, corners with two equivalent O(5)Sr4Mn2 octahedra, corners with two equivalent O(6)Sr4Mn2 octahedra, corners with two equivalent O(9)Sr4Mn2 octahedra, corners with two equivalent O(4)SrLa4Mn octahedra, edges with two equivalent O(10)Sr4Mn2 octahedra,  a faceface with one O(1)Sr4LaMn octahedra,  a faceface with one O(2)Sr4LaMn octahedra,  a faceface with one O(5)Sr4Mn2 octahedra,  a faceface with one O(6)Sr4Mn2 octahedra, faces with two equivalent O(7)Sr4Mn2 octahedra, and faces with two equivalent O(8)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one La(1), one La(2), and two equivalent Mn(2) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(4), one La(1), one La(2), and two equivalent Mn(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(4), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to two equivalent Sr(3), two equivalent La(2), one Mn(2), and one Mn(4) atom. is represented by the CIF card [CIF]
data_Sr2LaMn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.847
_cell_length_b   3.926
_cell_length_c   10.667
_cell_angle_alpha   79.397
_cell_angle_beta   79.615
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   155.667
_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
  La  La0  1  0.316  0.316  0.368  1.0
  Mn  Mn1  1  0.098  0.098  0.804  1.0
  Mn  Mn2  1  0.904  0.904  0.192  1.0
  O  O3  1  0.204  0.204  0.592  1.0
  O  O4  1  0.804  0.804  0.391  1.0
  O  O5  1  0.997  0.997  0.007  1.0
  O  O6  1  0.097  0.597  0.805  1.0
  O  O7  1  0.597  0.097  0.805  1.0
  O  O8  1  0.898  0.398  0.205  1.0
  O  O9  1  0.398  0.898  0.205  1.0
  Sr  Sr10  1  0.682  0.682  0.635  1.0
  Sr  Sr11  1  0.505  0.505  0.991  1.0
[/CIF]
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