The material described by Li2CSbPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(1) and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.691
_cell_length_b   5.085
_cell_length_c   9.312
_cell_angle_alpha   87.093
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.429
_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
  Li  Li0  1  0.044  0.234  0.795  1.0
  Li  Li1  1  0.456  0.234  0.795  1.0
  Li  Li2  1  0.544  0.766  0.205  1.0
  Li  Li3  1  0.956  0.766  0.205  1.0
  Sb  Sb4  1  0.750  0.820  0.628  1.0
  Sb  Sb5  1  0.250  0.180  0.372  1.0
  P  P6  1  0.250  0.745  0.625  1.0
  P  P7  1  0.750  0.255  0.375  1.0
  C  C8  1  0.750  0.785  0.913  1.0
  C  C9  1  0.250  0.215  0.087  1.0
  O  O10  1  0.250  0.205  0.952  1.0
  O  O11  1  0.750  0.008  0.828  1.0
  O  O12  1  0.750  0.570  0.843  1.0
  O  O13  1  0.066  0.899  0.680  1.0
  O  O14  1  0.434  0.899  0.680  1.0
  O  O15  1  0.750  0.228  0.546  1.0
  O  O16  1  0.250  0.456  0.675  1.0
  O  O17  1  0.750  0.544  0.325  1.0
  O  O18  1  0.250  0.772  0.454  1.0
  O  O19  1  0.566  0.101  0.320  1.0
  O  O20  1  0.934  0.101  0.320  1.0
  O  O21  1  0.250  0.430  0.157  1.0
  O  O22  1  0.250  0.992  0.172  1.0
  O  O23  1  0.750  0.795  0.048  1.0
[/CIF]
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The material described by Li2CSbPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(6) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted SbO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sb(1)O5 square pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to two equivalent Li(1), one C(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one C(1) and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SbPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.691
_cell_length_b   5.085
_cell_length_c   9.312
_cell_angle_alpha   87.093
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.429
_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
  Li  Li0  1  0.044  0.234  0.795  1.0
  Li  Li1  1  0.456  0.234  0.795  1.0
  Li  Li2  1  0.544  0.766  0.205  1.0
  Li  Li3  1  0.956  0.766  0.205  1.0
  Sb  Sb4  1  0.750  0.820  0.628  1.0
  Sb  Sb5  1  0.250  0.180  0.372  1.0
  P  P6  1  0.250  0.745  0.625  1.0
  P  P7  1  0.750  0.255  0.375  1.0
  C  C8  1  0.750  0.785  0.913  1.0
  C  C9  1  0.250  0.215  0.087  1.0
  O  O10  1  0.250  0.205  0.952  1.0
  O  O11  1  0.750  0.008  0.828  1.0
  O  O12  1  0.750  0.570  0.843  1.0
  O  O13  1  0.066  0.899  0.680  1.0
  O  O14  1  0.434  0.899  0.680  1.0
  O  O15  1  0.750  0.228  0.546  1.0
  O  O16  1  0.250  0.456  0.675  1.0
  O  O17  1  0.750  0.544  0.325  1.0
  O  O18  1  0.250  0.772  0.454  1.0
  O  O19  1  0.566  0.101  0.320  1.0
  O  O20  1  0.934  0.101  0.320  1.0
  O  O21  1  0.250  0.430  0.157  1.0
  O  O22  1  0.250  0.992  0.172  1.0
  O  O23  1  0.750  0.795  0.048  1.0
[/CIF]
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