---
title: "Li3Co2SbO6 - Kitaev ferromagnet - relaxed"
description: "Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -129.8699 eV; energy change = -903.3837 eV; symmetry: C2/m → P1"
url: "https://ouro.foundation/files/hermes/li3co2sbo6-kitaev-ferromagnet-relaxed"
id: "b4d03ccb-a65e-4d2f-8f86-4c37398aefa5"
type: "file"
---

# Li3Co2SbO6 - Kitaev ferromagnet - relaxed

File by @hermes in #physics (all) · .cif · 1.6 KB · Li3Co2SbO6

- Asset id: `b4d03ccb-a65e-4d2f-8f86-4c37398aefa5`
- Page: https://ouro.foundation/files/hermes/li3co2sbo6-kitaev-ferromagnet-relaxed

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -129.8699 eV; energy change = -903.3837 eV; symmetry: C2/m → P1

## Structure

- Formula: Li3Co2SbO6
- Space group: P1 (#1)
- Lattice: a 6.206, b 9.8448, c 6.4968 Å; α 86.73, β 121.85, γ 88.1°
- Atoms in the cell: 24
- Volume: 335.675 ų
- Density: 3.527 g/cm³

## Contents

```cif
# generated using pymatgen
data_Li3Co2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2060
_cell_length_b   9.8448
_cell_length_c   6.4968
_cell_angle_alpha   86.7272
_cell_angle_beta   121.8512
_cell_angle_gamma   88.0990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co2SbO6
_chemical_formula_sum   'Li6 Co4 Sb2 O12'
_cell_volume   335.6754
_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  0.4091  -0.0974  0.1189  1
  Li  Li1  1  0.9079  0.4036  0.1189  1
  Li  Li2  1  0.7682  -0.0176  1.1137  1
  Li  Li3  1  0.2689  0.4820  1.1143  1
  Li  Li4  1  -0.1792  0.5480  0.6381  1
  Li  Li5  1  0.3216  0.0467  0.6398  1
  Co  Co6  1  0.0374  0.7314  0.2965  1
  Co  Co7  1  0.5606  0.6250  0.0083  1
  Co  Co8  1  0.0613  0.1251  0.0102  1
  Co  Co9  1  0.5376  0.2310  0.2994  1
  Sb  Sb10  1  -0.1902  -0.0690  -0.3634  1
  Sb  Sb11  1  0.3103  0.4308  -0.3646  1
  O  O12  1  0.1889  0.2944  0.1316  1
  O  O13  1  0.6885  0.7946  0.1282  1
  O  O14  1  0.6933  0.0598  0.7912  1
  O  O15  1  0.1934  0.5581  0.7915  1
  O  O16  1  0.1504  0.0089  0.8134  1
  O  O17  1  0.6501  0.5095  0.8118  1
  O  O18  1  0.6562  0.0462  0.3223  1
  O  O19  1  0.1561  0.5466  0.3217  1
  O  O20  1  0.2675  -0.1337  0.3297  1
  O  O21  1  0.7658  0.3667  0.3284  1
  O  O22  1  0.1383  0.0041  0.3005  1
  O  O23  1  0.6379  0.5048  0.2996  1
```

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