The material described by CaSr3Mn2FeO10 crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(6), four equivalent O(1), and four equivalent O(5) atoms. Ca(1) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(2), and four equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), and four equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to one O(3), one O(4), and four equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(6)SrCa4Mn octahedra, corners with four equivalent O(5)Sr4CaMn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, edges with two equivalent O(1)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr4CaMn octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Ca(1), and two equivalent Mn(2) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(2)Sr2Ca2Mn2 octahedra, corners with two equivalent O(5)Sr4CaMn octahedra, corners with four equivalent O(4)Sr4MnFe octahedra, corners with four equivalent O(6)SrCa4Mn octahedra, edges with two equivalent O(2)Sr2Ca2Mn2 octahedra, faces with two equivalent O(4)Sr4MnFe octahedra, faces with two equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(5)Sr4CaMn octahedra,  a cornercorner with one O(4)Sr4MnFe octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with eight equivalent O(1)Sr4Mn2 octahedra, edges with four equivalent O(3)Sr4MnFe octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one Mn(2), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra,  a cornercorner with one O(6)SrCa4Mn octahedra, corners with four equivalent O(4)Sr4MnFe octahedra, corners with eight equivalent O(2)Sr2Ca2Mn2 octahedra, edges with four equivalent O(4)Sr4MnFe octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to four equivalent Sr(3), one Ca(1), and one Mn(1) atom to form distorted OSr4CaMn octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(2)Sr2Ca2Mn2 octahedra, corners with four equivalent O(5)Sr4CaMn octahedra, corners with eight equivalent O(1)Sr4Mn2 octahedra, edges with four equivalent O(5)Sr4CaMn octahedra, edges with four equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Ca(1), and one Mn(2) atom to form distorted OSrCa4Mn octahedra that share  a cornercorner with one O(4)Sr4MnFe octahedra, corners with four equivalent O(1)Sr4Mn2 octahedra, corners with four equivalent O(6)SrCa4Mn octahedra, corners with eight equivalent O(2)Sr2Ca2Mn2 octahedra, edges with four equivalent O(5)Sr4CaMn octahedra, edges with four equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CaMn2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   14.236
_cell_angle_alpha   82.202
_cell_angle_beta   82.202
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   208.071
_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
  Sr  Sr0  1  0.570  0.570  0.859  1.0
  Sr  Sr1  1  0.430  0.430  0.140  1.0
  Sr  Sr2  1  0.704  0.704  0.592  1.0
  Ca  Ca3  1  0.299  0.299  0.401  1.0
  Mn  Mn4  1  0.142  0.142  0.715  1.0
  Mn  Mn5  1  0.857  0.857  0.285  1.0
  Fe  Fe6  1  0.000  0.000  1.000  1.0
  O  O7  1  0.641  0.141  0.719  1.0
  O  O8  1  0.141  0.641  0.719  1.0
  O  O9  1  0.357  0.857  0.286  1.0
  O  O10  1  0.857  0.357  0.286  1.0
  O  O11  1  0.072  0.072  0.856  1.0
  O  O12  1  0.928  0.928  0.145  1.0
  O  O13  1  0.213  0.213  0.576  1.0
  O  O14  1  0.789  0.789  0.420  1.0
  O  O15  1  1.000  0.500  0.001  1.0
  O  O16  1  0.500  1.000  0.001  1.0
[/CIF]
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The material described by CaSr3Mn2FeO10 crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(6), four equivalent O(1), and four equivalent O(5) atoms. Ca(1) is bonded in a 9-coordinate geometry to one O(5), four equivalent O(2), and four equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), and four equivalent O(1) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(2) is bonded to one O(4), one O(6), and four equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. Fe(1) is bonded to one O(3), one O(4), and four equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Mn(1) atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(1)Sr4Mn2 octahedra, corners with two equivalent O(6)SrCa4Mn octahedra, corners with four equivalent O(5)Sr4CaMn octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, edges with two equivalent O(1)Sr4Mn2 octahedra, faces with two equivalent O(5)Sr4CaMn octahedra, faces with two equivalent O(3)Sr4MnFe octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-61°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Ca(1), and two equivalent Mn(2) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(2)Sr2Ca2Mn2 octahedra, corners with two equivalent O(5)Sr4CaMn octahedra, corners with four equivalent O(4)Sr4MnFe octahedra, corners with four equivalent O(6)SrCa4Mn octahedra, edges with two equivalent O(2)Sr2Ca2Mn2 octahedra, faces with two equivalent O(4)Sr4MnFe octahedra, faces with two equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(5)Sr4CaMn octahedra,  a cornercorner with one O(4)Sr4MnFe octahedra, corners with four equivalent O(3)Sr4MnFe octahedra, corners with eight equivalent O(1)Sr4Mn2 octahedra, edges with four equivalent O(3)Sr4MnFe octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to four equivalent Sr(2), one Mn(2), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra,  a cornercorner with one O(6)SrCa4Mn octahedra, corners with four equivalent O(4)Sr4MnFe octahedra, corners with eight equivalent O(2)Sr2Ca2Mn2 octahedra, edges with four equivalent O(4)Sr4MnFe octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded to four equivalent Sr(3), one Ca(1), and one Mn(1) atom to form distorted OSr4CaMn octahedra that share  a cornercorner with one O(3)Sr4MnFe octahedra, corners with four equivalent O(2)Sr2Ca2Mn2 octahedra, corners with four equivalent O(5)Sr4CaMn octahedra, corners with eight equivalent O(1)Sr4Mn2 octahedra, edges with four equivalent O(5)Sr4CaMn octahedra, edges with four equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(1)Sr4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the sixth O site, O(6) is bonded to one Sr(3), four equivalent Ca(1), and one Mn(2) atom to form distorted OSrCa4Mn octahedra that share  a cornercorner with one O(4)Sr4MnFe octahedra, corners with four equivalent O(1)Sr4Mn2 octahedra, corners with four equivalent O(6)SrCa4Mn octahedra, corners with eight equivalent O(2)Sr2Ca2Mn2 octahedra, edges with four equivalent O(5)Sr4CaMn octahedra, edges with four equivalent O(6)SrCa4Mn octahedra, and faces with four equivalent O(2)Sr2Ca2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CaMn2FeO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.859
_cell_length_b   3.859
_cell_length_c   14.236
_cell_angle_alpha   82.202
_cell_angle_beta   82.202
_cell_angle_gamma   90.015
_symmetry_Int_Tables_number   1
_cell_volume   208.071
_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
  Sr  Sr0  1  0.570  0.570  0.859  1.0
  Sr  Sr1  1  0.430  0.430  0.140  1.0
  Sr  Sr2  1  0.704  0.704  0.592  1.0
  Ca  Ca3  1  0.299  0.299  0.401  1.0
  Mn  Mn4  1  0.142  0.142  0.715  1.0
  Mn  Mn5  1  0.857  0.857  0.285  1.0
  Fe  Fe6  1  0.000  0.000  1.000  1.0
  O  O7  1  0.641  0.141  0.719  1.0
  O  O8  1  0.141  0.641  0.719  1.0
  O  O9  1  0.357  0.857  0.286  1.0
  O  O10  1  0.857  0.357  0.286  1.0
  O  O11  1  0.072  0.072  0.856  1.0
  O  O12  1  0.928  0.928  0.145  1.0
  O  O13  1  0.213  0.213  0.576  1.0
  O  O14  1  0.789  0.789  0.420  1.0
  O  O15  1  1.000  0.500  0.001  1.0
  O  O16  1  0.500  1.000  0.001  1.0
[/CIF]
.