The material described by Sr4CaMn2(GaO5)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and three equivalent O(6) atoms. Ca(1) is bonded to one O(3), two equivalent O(5), and two equivalent O(7) atoms to form distorted CaO5 trigonal bipyramids that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Ga(1)O4 trigonal pyramids, and edges with two equivalent Ga(1)O4 trigonal pyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Ca(1)O5 trigonal bipyramid, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  a cornercorner with one Ga(1)O4 trigonal pyramid. Ga(1) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form distorted GaO4 trigonal pyramids that share  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Ca(1)O5 trigonal bipyramid, and  an edgeedge with one Ga(1)O4 trigonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form face-sharing OSr4Mn2 octahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to three equivalent Sr(2), one Mn(1), and one Ga(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Sr4CaMn2(GaO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.884
_cell_length_c   9.437
_cell_angle_alpha   70.296
_cell_angle_beta   70.153
_cell_angle_gamma   85.345
_symmetry_Int_Tables_number   1
_cell_volume   291.609
_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  0.142  0.647  0.820  1.0
  Sr  Sr1  1  0.933  0.392  0.216  1.0
  Sr  Sr2  1  0.538  0.033  0.820  1.0
  Sr  Sr3  1  0.351  0.892  0.216  1.0
  Ca  Ca4  1  0.930  0.429  0.641  1.0
  Mn  Mn5  1  0.514  0.467  0.028  1.0
  Mn  Mn6  1  0.958  0.005  0.028  1.0
  Ga  Ga7  1  0.617  0.723  0.481  1.0
  Ga  Ga8  1  0.402  0.296  0.481  1.0
  O  O9  1  0.244  0.244  0.011  1.0
  O  O10  1  0.237  0.737  0.026  1.0
  O  O11  1  0.798  0.298  0.903  1.0
  O  O12  1  0.739  0.739  0.022  1.0
  O  O13  1  0.628  0.720  0.673  1.0
  O  O14  1  0.384  0.294  0.291  1.0
  O  O15  1  0.200  0.107  0.673  1.0
  O  O16  1  0.824  0.914  0.291  1.0
  O  O17  1  0.300  0.630  0.498  1.0
  O  O18  1  0.702  0.372  0.498  1.0
[/CIF]
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The material described by Sr4CaMn2(GaO5)2 crystallizes in the monoclinic C2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and two equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(7), and three equivalent O(6) atoms. Ca(1) is bonded to one O(3), two equivalent O(5), and two equivalent O(7) atoms to form distorted CaO5 trigonal bipyramids that share corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Ga(1)O4 trigonal pyramids, and edges with two equivalent Ga(1)O4 trigonal pyramids. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Ca(1)O5 trigonal bipyramid, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  a cornercorner with one Ga(1)O4 trigonal pyramid. Ga(1) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form distorted GaO4 trigonal pyramids that share  a cornercorner with one Ca(1)O5 trigonal bipyramid,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Ca(1)O5 trigonal bipyramid, and  an edgeedge with one Ga(1)O4 trigonal pyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form face-sharing OSr4Mn2 octahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(1), and one Ga(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to three equivalent Sr(2), one Mn(1), and one Ga(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Ca(1), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Sr4CaMn2(GaO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.935
_cell_length_b   5.884
_cell_length_c   9.437
_cell_angle_alpha   70.296
_cell_angle_beta   70.153
_cell_angle_gamma   85.345
_symmetry_Int_Tables_number   1
_cell_volume   291.609
_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  0.142  0.647  0.820  1.0
  Sr  Sr1  1  0.933  0.392  0.216  1.0
  Sr  Sr2  1  0.538  0.033  0.820  1.0
  Sr  Sr3  1  0.351  0.892  0.216  1.0
  Ca  Ca4  1  0.930  0.429  0.641  1.0
  Mn  Mn5  1  0.514  0.467  0.028  1.0
  Mn  Mn6  1  0.958  0.005  0.028  1.0
  Ga  Ga7  1  0.617  0.723  0.481  1.0
  Ga  Ga8  1  0.402  0.296  0.481  1.0
  O  O9  1  0.244  0.244  0.011  1.0
  O  O10  1  0.237  0.737  0.026  1.0
  O  O11  1  0.798  0.298  0.903  1.0
  O  O12  1  0.739  0.739  0.022  1.0
  O  O13  1  0.628  0.720  0.673  1.0
  O  O14  1  0.384  0.294  0.291  1.0
  O  O15  1  0.200  0.107  0.673  1.0
  O  O16  1  0.824  0.914  0.291  1.0
  O  O17  1  0.300  0.630  0.498  1.0
  O  O18  1  0.702  0.372  0.498  1.0
[/CIF]
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