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1 | # CIF file |
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2 | # This file was generated by FINDSYM |
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3 | # Harold T. Stokes, Branton J. Campbell, Dorian M. Hatch |
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4 | # Brigham Young University, Provo, Utah, USA |
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5 | |
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6 | data_findsym-output |
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7 | _audit_creation_method FINDSYM |
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8 | |
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9 | _chemical_name_mineral 'Hausmannite' |
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10 | _chemical_formula_sum 'Mn3 O4' |
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11 | |
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12 | loop_ |
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13 | _publ_author_name |
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14 | 'D. Jarosch' |
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15 | _journal_name_full |
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16 | ; |
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17 | Mineralogy and Petrology |
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18 | ; |
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19 | _journal_volume 37 |
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20 | _journal_year 1987 |
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21 | _journal_page_first 15 |
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22 | _journal_page_last 23 |
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23 | _publ_Section_title |
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24 | ; |
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25 | Crystal structure refinement and reflectance measurements of hausmannite, Mn$_3$O$_4$ |
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26 | ; |
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27 | |
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28 | # Found in Pearson IV, p. 4347 |
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29 | |
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30 | _symmetry_space_group_name_Hall "-I 4bd 2" |
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31 | _symmetry_space_group_name_H-M "I 41/a m d:2" |
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32 | _symmetry_Int_Tables_number 141 |
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33 | |
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34 | _cell_length_a 5.76500 |
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35 | _cell_length_b 5.76500 |
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36 | _cell_length_c 9.44200 |
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37 | _cell_angle_alpha 90.00000 |
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38 | _cell_angle_beta 90.00000 |
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39 | _cell_angle_gamma 90.00000 |
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40 | |
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41 | loop_ |
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42 | _space_group_symop_id |
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43 | _space_group_symop_operation_xyz |
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44 | 1 x,y,z |
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45 | 2 x,-y,-z |
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46 | 3 -x,y+1/2,-z |
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47 | 4 -x,-y+1/2,z |
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48 | 5 -y+1/4,-x+1/4,-z+3/4 |
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49 | 6 -y+1/4,x+3/4,z+1/4 |
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50 | 7 y+3/4,-x+3/4,z+1/4 |
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51 | 8 y+3/4,x+1/4,-z+3/4 |
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52 | 9 -x,-y,-z |
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53 | 10 -x,y,z |
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54 | 11 x,-y+1/2,z |
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55 | 12 x,y+1/2,-z |
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56 | 13 y+3/4,x+3/4,z+1/4 |
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57 | 14 y+3/4,-x+1/4,-z+3/4 |
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58 | 15 -y+1/4,x+1/4,-z+3/4 |
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59 | 16 -y+1/4,-x+3/4,z+1/4 |
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60 | 17 x+1/2,y+1/2,z+1/2 |
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61 | 18 x+1/2,-y+1/2,-z+1/2 |
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62 | 19 -x+1/2,y,-z+1/2 |
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63 | 20 -x+1/2,-y,z+1/2 |
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64 | 21 -y+3/4,-x+3/4,-z+1/4 |
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65 | 22 -y+3/4,x+1/4,z+3/4 |
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66 | 23 y+1/4,-x+1/4,z+3/4 |
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67 | 24 y+1/4,x+3/4,-z+1/4 |
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68 | 25 -x+1/2,-y+1/2,-z+1/2 |
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69 | 26 -x+1/2,y+1/2,z+1/2 |
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70 | 27 x+1/2,-y,z+1/2 |
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71 | 28 x+1/2,y,-z+1/2 |
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72 | 29 y+1/4,x+1/4,z+3/4 |
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73 | 30 y+1/4,-x+3/4,-z+1/4 |
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74 | 31 -y+3/4,x+3/4,-z+1/4 |
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75 | 32 -y+3/4,-x+1/4,z+3/4 |
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76 | |
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77 | loop_ |
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78 | _atom_site_label |
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79 | _atom_site_type_symbol |
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80 | _atom_site_symmetry_multiplicity |
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81 | _atom_site_Wyckoff_label |
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82 | _atom_site_fract_x |
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83 | _atom_site_fract_y |
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84 | _atom_site_fract_z |
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85 | _atom_site_occupancy |
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86 | Mn1 Mn 4 a 0.00000 0.75000 0.12500 1.00000 |
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87 | Mn2 Mn 8 d 0.00000 0.00000 0.50000 1.00000 |
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88 | O1 O 16 h 0.00000 0.02780 0.25890 1.00000 |
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89 | |
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