data_Sr7CaMn4(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   89.98
_cell_angle_beta   89.98
_cell_angle_gamma   89.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr7CaMn4(FeO6)4
_chemical_formula_sum   'Sr7 Ca1 Mn4 Fe4 O24'
_cell_volume   474.5
_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  0.0  0.82  0.63  1.0
  Sr  Sr1  1  0.25  0.41  0.88  1.0
  Sr  Sr2  1  0.25  0.59  0.63  1.0
  Sr  Sr3  1  0.75  0.41  0.88  1.0
  Sr  Sr4  1  0.0  0.0  0.13  1.0
  Sr  Sr5  1  0.75  0.59  0.63  1.0
  Sr  Sr6  1  0.0  0.18  0.88  1.0
  Ca  Ca7  1  0.0  0.0  0.39  1.0
  Mn  Mn8  1  0.25  0.41  0.5  1.0
  Mn  Mn9  1  0.0  0.18  0.5  1.0
  Mn  Mn10  1  0.75  0.41  0.5  1.0
  Mn  Mn11  1  0.0  0.0  0.75  1.0
  Fe  Fe12  1  0.0  0.0  0.01  1.0
  Fe  Fe13  1  0.25  0.59  0.25  1.0
  Fe  Fe14  1  0.0  0.82  0.25  1.0
  Fe  Fe15  1  0.75  0.59  0.25  1.0
  O  O16  1  0.35  0.78  0.13  1.0
  O  O17  1  0.66  0.38  0.4  1.0
  O  O18  1  0.39  0.65  0.4  1.0
  O  O19  1  0.64  0.22  0.61  1.0
  O  O20  1  0.15  0.4  0.4  1.0
  O  O21  1  0.36  0.96  0.61  1.0
  O  O22  1  0.11  0.19  0.61  1.0
  O  O23  1  0.37  0.79  0.88  1.0
  O  O24  1  0.0  0.2  0.4  1.0
  O  O25  1  0.25  0.84  0.61  1.0
  O  O26  1  0.0  0.45  0.13  1.0
  O  O27  1  0.27  0.97  0.4  1.0
  O  O28  1  0.75  0.84  0.61  1.0
  O  O29  1  0.0  0.41  0.88  1.0
  O  O30  1  0.73  0.97  0.4  1.0
  O  O31  1  0.0  0.57  0.61  1.0
  O  O32  1  0.65  0.78  0.13  1.0
  O  O33  1  0.85  0.4  0.4  1.0
  O  O34  1  0.61  0.65  0.4  1.0
  O  O35  1  0.89  0.19  0.61  1.0
  O  O36  1  0.34  0.38  0.4  1.0
  O  O37  1  0.64  0.96  0.61  1.0
  O  O38  1  0.36  0.22  0.61  1.0
  O  O39  1  0.63  0.79  0.88  1.0

data_Sr7CaMn4(FeO6)4
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr7CaMn4(FeO6)4
_chemical_formula_sum   'Sr7 Ca1 Mn4 Fe4 O24'
_cell_volume   474.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.41  0.25  0.12  1.0
  Sr  Sr1  2  0.59  0.25  0.37  1.0
  Sr  Sr2  1  0.0  0.0  0.87  1.0
  Sr  Sr3  1  0.18  0.0  0.12  1.0
  Sr  Sr4  1  0.82  0.0  0.37  1.0
  Ca  Ca5  1  0.0  0.0  0.61  1.0
  Mn  Mn6  2  0.41  0.25  0.5  1.0
  Mn  Mn7  1  0.0  0.0  0.25  1.0
  Mn  Mn8  1  0.18  0.0  0.5  1.0
  Fe  Fe9  2  0.59  0.25  0.75  1.0
  Fe  Fe10  1  0.0  0.0  0.99  1.0
  Fe  Fe11  1  0.82  0.0  0.75  1.0
  O  O12  2  0.19  0.11  0.39  1.0
  O  O13  2  0.22  0.36  0.39  1.0
  O  O14  2  0.38  0.34  0.6  1.0
  O  O15  2  0.4  0.15  0.6  1.0
  O  O16  2  0.65  0.39  0.6  1.0
  O  O17  2  0.78  0.35  0.87  1.0
  O  O18  2  0.79  0.37  0.12  1.0
  O  O19  2  0.84  0.25  0.39  1.0
  O  O20  2  0.96  0.36  0.39  1.0
  O  O21  2  0.97  0.27  0.6  1.0
  O  O22  1  0.2  0.0  0.6  1.0
  O  O23  1  0.41  0.0  0.12  1.0
  O  O24  1  0.45  0.0  0.87  1.0
  O  O25  1  0.57  0.0  0.39  1.0

Sr Sr Sr Sr Sr Sr Sr Ca Mn Mn Mn Mn Fe Fe Fe Fe O O O O O O O O O O O O O O O O O O O O O O O O
Sr7CaMn4(FeO6)4 crystallizes in the monoclinic Pm space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(3), one O(14), and two equivalent O(10) atoms. The Sr(1)-Mn(3) bond length is 1.66 Å. The Sr(1)-O(14) bond length is 2.00 Å. Both Sr(1)-O(10) bond lengths are 1.93 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one O(13) and one O(8) atom. The Sr(2)-O(13) bond length is 1.94 Å. The Sr(2)-O(8) bond length is 3.13 Å. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one Mn(1), one O(10), one O(14), one O(3), and one O(8) atom. The Sr(3)-Mn(1) bond length is 1.71 Å. The Sr(3)-O(10) bond length is 2.01 Å. The Sr(3)-O(14) bond length is 1.96 Å. The Sr(3)-O(3) bond length is 2.19 Å. The Sr(3)-O(8) bond length is 2.67 Å. In the fourth Sr site, Sr(4) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(3) atom. The Sr(4)-Fe(1) bond length is 0.95 Å. The Sr(4)-Fe(3) bond length is 1.70 Å. In the fifth Sr site, Sr(5) is bonded in a 1-coordinate geometry to one Mn(3) and one O(13) atom. The Sr(5)-Mn(3) bond length is 1.71 Å. The Sr(5)-O(13) bond length is 1.85 Å. Ca(1) is bonded in a 5-coordinate geometry to one Mn(2), one Fe(3), one O(9), and two equivalent O(12) atoms. The Ca(1)-Mn(2) bond length is 1.66 Å. The Ca(1)-Fe(3) bond length is 1.73 Å. The Ca(1)-O(9) bond length is 1.60 Å. Both Ca(1)-O(12) bond lengths are 2.12 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted L-shaped geometry to one Sr(3), one O(2), one O(4), and one O(5) atom. The Mn(1)-O(2) bond length is 1.13 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(5) bond length is 1.11 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one Ca(1), one O(9), and two equivalent O(7) atoms. The Mn(2)-O(9) bond length is 0.85 Å. Both Mn(2)-O(7) bond lengths are 1.20 Å. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(5), one Fe(1), two equivalent O(10), and two equivalent O(7) atoms. The Mn(3)-Fe(1) bond length is 1.99 Å. Both Mn(3)-O(10) bond lengths are 2.52 Å. Both Mn(3)-O(7) bond lengths are 2.04 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Sr(4) and one Mn(3) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(3), and one O(5) atom. The Fe(2)-O(1) bond length is 1.92 Å. The Fe(2)-O(11) bond length is 2.43 Å. The Fe(2)-O(2) bond length is 2.11 Å. The Fe(2)-O(3) bond length is 1.64 Å. The Fe(2)-O(5) bond length is 2.00 Å. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to one Sr(4) and one Ca(1) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Fe(2) and one O(8) atom. The O(1)-O(8) bond length is 2.00 Å. In the second O site, O(2) is bonded in a single-bond geometry to one Mn(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(3) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Mn(1) and one O(6) atom. The O(4)-O(6) bond length is 1.97 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(4) atom. The O(6)-O(10) bond length is 1.26 Å. The O(6)-O(12) bond length is 1.79 Å. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mn(2) and one Mn(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one O(1), and one O(8) atom. The O(8)-O(8) bond length is 1.97 Å. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ca(1) and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(3), one Mn(3), and one O(6) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to two equivalent Fe(2) atoms. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ca(1) and one O(6) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Sr(5) and two equivalent Sr(2) atoms. In the fourteenth O site, O(14) is bonded in a T-shaped geometry to one Sr(1) and two equivalent Sr(3) atoms.