data_Sr2Y2Cr2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.89
_cell_length_b   12.89
_cell_length_c   12.89
_cell_angle_alpha   36.2
_cell_angle_beta   154.43
_cell_angle_gamma   154.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Y2Cr2O7
_chemical_formula_sum   'Sr4 Y4 Cr4 O14'
_cell_volume   393.32
_cell_formula_units_Z   2
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  0.71  0.85  0.75  1.0
  Sr  Sr1  1  0.54  1.0  0.94  1.0
  Sr  Sr2  1  0.54  0.85  0.75  1.0
  Sr  Sr3  1  0.71  1.0  0.94  1.0
  Y  Y4  1  0.0  0.0  0.69  1.0
  Y  Y5  1  0.26  0.0  0.69  1.0
  Y  Y6  1  0.13  0.57  0.93  1.0
  Y  Y7  1  0.13  0.28  0.12  1.0
  Cr  Cr8  1  0.26  0.87  0.65  1.0
  Cr  Cr9  1  0.74  0.84  0.65  1.0
  Cr  Cr10  1  0.49  0.87  0.65  1.0
  Cr  Cr11  1  0.51  0.84  0.65  1.0
  O  O12  1  0.13  0.47  0.32  1.0
  O  O13  1  0.13  0.38  0.51  1.0
  O  O14  1  0.8  0.79  0.46  1.0
  O  O15  1  0.72  0.21  0.46  1.0
  O  O16  1  0.72  0.65  0.65  1.0
  O  O17  1  0.54  0.21  0.46  1.0
  O  O18  1  0.42  0.03  0.99  1.0
  O  O19  1  0.58  0.68  0.99  1.0
  O  O20  1  0.58  0.17  0.8  1.0
  O  O21  1  0.68  0.68  0.99  1.0
  O  O22  1  0.15  0.15  0.46  1.0
  O  O23  1  0.85  0.56  0.46  1.0
  O  O24  1  0.11  0.15  0.46  1.0
  O  O25  1  0.89  0.56  0.46  1.0

data_Sr2Y2Cr2O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.71
_cell_length_c   12.89
_cell_angle_alpha   102.79
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Y2Cr2O7
_chemical_formula_sum   'Sr4 Y4 Cr4 O14'
_cell_volume   393.32
_cell_formula_units_Z   2
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  0.06  0.61  1.0
  Sr  Sr1  1  0.0  0.06  0.77  1.0
  Sr  Sr2  1  0.15  0.25  0.11  1.0
  Sr  Sr3  1  0.15  0.25  0.94  1.0
  Y  Y4  1  0.0  0.31  0.31  1.0
  Y  Y5  1  0.0  0.31  0.57  1.0
  Y  Y6  1  0.43  0.07  0.62  1.0
  Y  Y7  1  0.72  0.88  0.73  1.0
  Cr  Cr8  1  0.13  0.35  0.74  1.0
  Cr  Cr9  1  0.13  0.35  0.97  1.0
  Cr  Cr10  1  0.16  0.35  0.02  1.0
  Cr  Cr11  1  0.16  0.35  0.25  1.0
  O  O12  1  0.21  0.54  0.54  1.0
  O  O13  1  0.32  0.01  0.01  1.0
  O  O14  1  0.32  0.01  0.91  1.0
  O  O15  1  0.35  0.35  0.42  1.0
  O  O16  1  0.44  0.54  0.83  1.0
  O  O17  1  0.44  0.54  0.88  1.0
  O  O18  1  0.53  0.68  0.33  1.0
  O  O19  1  0.62  0.49  0.23  1.0
  O  O20  1  0.79  0.54  0.05  1.0
  O  O21  1  0.79  0.54  0.87  1.0
  O  O22  1  0.83  0.2  0.61  1.0
  O  O23  1  0.85  0.54  0.5  1.0
  O  O24  1  0.85  0.54  0.54  1.0
  O  O25  1  0.97  0.01  0.41  1.0

Sr Sr Sr Sr Y Y Y Y Cr Cr Cr Cr O O O O O O O O O O O O O O
Sr2Y2Cr2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to one Cr(2), one Cr(4), one O(10), and one O(4) atom. The Sr(1)-Cr(2) bond length is 1.74 Å. The Sr(1)-Cr(4) bond length is 1.39 Å. The Sr(1)-O(10) bond length is 2.05 Å. The Sr(1)-O(4) bond length is 2.66 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one O(7) and one O(9) atom. The Sr(2)-O(7) bond length is 2.49 Å. The Sr(2)-O(9) bond length is 1.26 Å. In the third Sr site, Sr(3) is bonded in a 1-coordinate geometry to one Cr(3), one O(10), and one O(8) atom. The Sr(3)-Cr(3) bond length is 0.61 Å. The Sr(3)-O(10) bond length is 1.94 Å. The Sr(3)-O(8) bond length is 1.69 Å. In the fourth Sr site, Sr(4) is bonded in a 3-coordinate geometry to one Y(4), one Cr(1), and one O(8) atom. The Sr(4)-Y(4) bond length is 1.81 Å. The Sr(4)-Cr(1) bond length is 1.97 Å. The Sr(4)-O(8) bond length is 2.28 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 5-coordinate geometry to one Cr(2), one O(13), one O(2), one O(5), and one O(7) atom. The Y(1)-Cr(2) bond length is 1.39 Å. The Y(1)-O(13) bond length is 2.83 Å. The Y(1)-O(2) bond length is 2.47 Å. The Y(1)-O(5) bond length is 2.14 Å. The Y(1)-O(7) bond length is 2.34 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one O(11), one O(3), one O(7), and one O(9) atom. The Y(2)-O(11) bond length is 1.61 Å. The Y(2)-O(3) bond length is 1.88 Å. The Y(2)-O(7) bond length is 2.36 Å. The Y(2)-O(9) bond length is 1.39 Å. In the third Y site, Y(3) is bonded in a 1-coordinate geometry to one O(9) atom. The Y(3)-O(9) bond length is 2.44 Å. In the fourth Y site, Y(4) is bonded in a 3-coordinate geometry to one Sr(4), one O(11), and one O(6) atom. The Y(4)-O(11) bond length is 2.90 Å. The Y(4)-O(6) bond length is 2.97 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one Sr(4) and one O(12) atom. The Cr(1)-O(12) bond length is 2.04 Å. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one Sr(1), one Y(1), one O(1), and one O(5) atom. The Cr(2)-O(1) bond length is 2.67 Å. The Cr(2)-O(5) bond length is 2.26 Å. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Sr(3), one Cr(4), one O(4), and one O(6) atom. The Cr(3)-Cr(4) bond length is 0.65 Å. The Cr(3)-O(4) bond length is 2.54 Å. The Cr(3)-O(6) bond length is 2.43 Å. In the fourth Cr site, Cr(4) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one Cr(3), one O(10), and one O(4) atom. The Cr(4)-O(10) bond length is 2.11 Å. The Cr(4)-O(4) bond length is 2.39 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Cr(2) and one O(2) atom. The O(1)-O(2) bond length is 1.64 Å. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Y(1) and one O(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Y(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(1), one Cr(3), and one Cr(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Y(1) and one Cr(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Y(4) and one Cr(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Sr(2), one Y(1), and one Y(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(4), and one O(10) atom. The O(8)-O(10) bond length is 1.27 Å. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Sr(2), one Y(2), and one Y(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Cr(4), and one O(8) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Y(2), one Y(4), and one O(13) atom. The O(11)-O(13) bond length is 0.53 Å. In the twelfth O site, O(12) is bonded in a water-like geometry to one Cr(1) and one O(14) atom. The O(12)-O(14) bond length is 0.53 Å. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Y(1) and one O(11) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one O(12) atom.