The material structure described by RbCrV2O7 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 10-coordinate geometry to four equivalent O(2) and six equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OV2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Rb(1), one V(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Rb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_RbV2CrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.986
_cell_length_c   8.670
_cell_angle_alpha   101.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.390
_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
  Rb  Rb0  1  0.610  0.750  0.500  1.0
  Rb  Rb1  1  0.390  0.250  0.500  1.0
  V  V2  1  0.003  0.125  0.833  1.0
  V  V3  1  0.997  0.875  0.167  1.0
  V  V4  1  0.997  0.625  0.833  1.0
  V  V5  1  0.003  0.375  0.167  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.717  0.250  0.000  1.0
  O  O9  1  0.283  0.750  0.000  1.0
  O  O10  1  0.678  0.978  0.201  1.0
  O  O11  1  0.678  0.522  0.799  1.0
  O  O12  1  0.322  0.022  0.799  1.0
  O  O13  1  0.322  0.478  0.201  1.0
  O  O14  1  0.842  0.611  0.111  1.0
  O  O15  1  0.158  0.111  0.111  1.0
  O  O16  1  0.842  0.889  0.889  1.0
  O  O17  1  0.158  0.389  0.889  1.0
  O  O18  1  0.877  0.380  0.343  1.0
  O  O19  1  0.123  0.620  0.657  1.0
  O  O20  1  0.877  0.120  0.657  1.0
  O  O21  1  0.123  0.880  0.343  1.0
[/CIF]
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The material structure described by RbCrV2O7 crystallizes in the monoclinic P2/c space group. Rb(1) is bonded in a 10-coordinate geometry to four equivalent O(2) and six equivalent O(4) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OV2Cr2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Rb(1), one V(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Rb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_RbV2CrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.956
_cell_length_b   6.986
_cell_length_c   8.670
_cell_angle_alpha   101.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   294.390
_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
  Rb  Rb0  1  0.610  0.750  0.500  1.0
  Rb  Rb1  1  0.390  0.250  0.500  1.0
  V  V2  1  0.003  0.125  0.833  1.0
  V  V3  1  0.997  0.875  0.167  1.0
  V  V4  1  0.997  0.625  0.833  1.0
  V  V5  1  0.003  0.375  0.167  1.0
  Cr  Cr6  1  0.500  0.500  0.000  1.0
  Cr  Cr7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.717  0.250  0.000  1.0
  O  O9  1  0.283  0.750  0.000  1.0
  O  O10  1  0.678  0.978  0.201  1.0
  O  O11  1  0.678  0.522  0.799  1.0
  O  O12  1  0.322  0.022  0.799  1.0
  O  O13  1  0.322  0.478  0.201  1.0
  O  O14  1  0.842  0.611  0.111  1.0
  O  O15  1  0.158  0.111  0.111  1.0
  O  O16  1  0.842  0.889  0.889  1.0
  O  O17  1  0.158  0.389  0.889  1.0
  O  O18  1  0.877  0.380  0.343  1.0
  O  O19  1  0.123  0.620  0.657  1.0
  O  O20  1  0.877  0.120  0.657  1.0
  O  O21  1  0.123  0.880  0.343  1.0
[/CIF]
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