The material described by SrCrHO2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent H(1) and eight equivalent O(1) atoms to form SrH4O8 cuboctahedra that share corners with twelve equivalent Sr(1)H4O8 cuboctahedra, faces with six equivalent Sr(1)H4O8 cuboctahedra, and faces with eight equivalent Cr(1)H2O4 octahedra. Cr(1) is bonded to two equivalent H(1) and four equivalent O(1) atoms to form CrH2O4 octahedra that share corners with six equivalent Cr(1)H2O4 octahedra and faces with eight equivalent Sr(1)H4O8 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_SrCrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.606
_cell_length_b   4.011
_cell_length_c   4.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   58.005
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  1.000  1.000  1.0
  O  O2  1  1.000  1.000  0.500  1.0
  O  O3  1  1.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by SrCrHO2 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent H(1) and eight equivalent O(1) atoms to form SrH4O8 cuboctahedra that share corners with twelve equivalent Sr(1)H4O8 cuboctahedra, faces with six equivalent Sr(1)H4O8 cuboctahedra, and faces with eight equivalent Cr(1)H2O4 octahedra. Cr(1) is bonded to two equivalent H(1) and four equivalent O(1) atoms to form CrH2O4 octahedra that share corners with six equivalent Cr(1)H2O4 octahedra and faces with eight equivalent Sr(1)H4O8 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Cr(1) atoms. O(1) is bonded to four equivalent Sr(1) and two equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_SrCrHO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.606
_cell_length_b   4.011
_cell_length_c   4.011
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   58.005
_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
  Cr  Cr0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.500  1.000  1.000  1.0
  O  O2  1  1.000  1.000  0.500  1.0
  O  O3  1  1.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
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