#### CIF created by Crystallographica 2 ####

data_LithiumSilicate

_audit_creation_method                    'Crystallographica 2' 
_cell_angle_alpha                         90 
_cell_angle_beta                          99.5 
_cell_angle_gamma                         90 
_cell_formula_units_Z                     14 
_cell_length_a                            11.546 
_cell_length_b                            6.09 
_cell_length_c                            16.645 
_cell_volume                              1154.34 
_cgraph_comments                         'Crystal structure of ordered Li4 Si O4

'
_cgraph_title                            'Lithium Silicate'
_chemical_formula_sum                    'Li4 Si O4'
_symmetry_space_group_name_H-M           'P 21/m'
_symmetry_space_group_name_Hall          '-P 2yb'

loop_
        _symmetry_equiv_pos_as_xyz
        'x, y, z'
        '-x, -y, -z'
        '-x, y+1/2, -z'
        'x, -y+1/2, z'

loop_
        _atom_site_label
        _atom_site_type_symbol
        _atom_site_fract_x
        _atom_site_fract_y
        _atom_site_fract_z
        _atom_site_U_iso_or_equiv
        _atom_site_thermal_displace_type
        _atom_site_occupancy
        Si1 Si4+ 0.3416 0.25 0.0056 0.0103854 Uiso 1
        Si2 Si4+ 0.754 0.25 0.1386 0.00937221 Uiso 1
        Si3 Si4+ 0.4772 0.25 0.7152 0.0046861 Uiso 1
        Si4 Si4+ 0.2003 0.25 0.2924 0.0041795 Uiso 1
        Si5 Si4+ 0.0406 0.25 0.5773 0.0105121 Uiso 1
        Si6 Si4+ 0.8941 0.25 0.8567 0.00379954 Uiso 1
        Si7 Si4+ 0.6145 0.25 0.428 0.00607927 Uiso 1
        O1 O2- 0.356 0.0265 0.0579 0.00671253 Uiso 1
        O2 O2- 0.786 0.0342 0.1956 0.0183645 Uiso 1
        O3 O2- 0.4994 0.0305 0.7715 0.0158314 Uiso 1
        O4 O2- 0.2185 0.0283 0.3484 0.0088656 Uiso 1
        O5 O2- 0.0668 0.0316 0.6344 0.0172246 Uiso 1
        O6 O2- 0.9269 0.033 0.9175 0.00481276 Uiso 1
        O7 O2- 0.653 0.0283 0.4811 0.0046861 Uiso 1
        O8 O2- 0.1998 0.25 0.9638 0.0116519 Uiso 1
        O9 O2- 0.6186 0.25 0.0977 0.00759909 Uiso 1
        O10 O2- 0.3352 0.25 0.6744 0.00569932 Uiso 1
        O11 O2- 0.0626 0.25 0.2447 0.0117786 Uiso 1
        O12 O2- 0.9082 0.25 0.5278 0.00899226 Uiso 1
        O13 O2- 0.7611 0.25 0.8143 0.0120319 Uiso 1
        O14 O2- 0.4745 0.25 0.3985 0.0110187 Uiso 1
        O15 O2- 0.4194 0.25 0.9341 0.00113986 Uiso 1
        O16 O2- 0.8436 0.25 0.0682 0.0111453 Uiso 1
        O17 O2- 0.5526 0.25 0.6386 0.0177312 Uiso 1
        O18 O2- 0.2842 0.25 0.2228 0.0151982 Uiso 1
        O19 O2- 0.1308 0.25 0.5114 0.0105121 Uiso 1
        O20 O2- 0.9918 0.25 0.7957 0.00924556 Uiso 1
        O21 O2- 0.6967 0.25 0.3561 0.00620592 Uiso 1
        Li1 Li1+ 0.3823 0.0072 0.4068 0.0111453 Uiso 1
        Li2 Li1+ 0.8123 0.0006 0.5448 0.0136784 Uiso 1
        Li3 Li1+ 0.6605 0.0112 0.827 0.0130451 Uiso 1
        Li4 Li1+ 0.5255 0.9981 0.1173 0.0159581 Uiso 1
        Li5 Li1+ 0.2722 0.25 0.8558 0.0286232 Uiso 1
        Li6 Li1+ 0.4176 0.25 0.5491 0.0326761 Uiso 1
        Li7 Li1+ 0.1321 0.25 0.1464 0.00253303 Uiso 1
        Li8 Li1+ 0.9695 0.25 0.4271 0.0449613 Uiso 1
        Li9 Li1+ 0.449 0.25 0.278 0.0154515 Uiso 1
        Li10 Li1+ 0.7272 0.25 0.6977 0.0113986 Uiso 1
        Li11 Li1+ 0.594 0.25 0.9794 0.0143116 Uiso 1
        Li12 Li1+ 0.1962 0.9631 0.0192 0.0041795 Uiso 1
        Li13 Li1+ 0.3309 0.9681 0.7279 0.0181112 Uiso 1
        Li14 Li1+ 0.9515 0.0298 0.7108 0.0212774 Uiso 1
        Li15 Li1+ 0.079 0.0278 0.8663 0.0606661 Uiso 1
        Li16 Li1+ 0.2373 0.0379 0.5977 0.0219107 Uiso 1
        Li17 Li1+ 0.1407 0.25 0.736 0.0292565 Uiso 1
        Li18 Li1+ 0.0082 0.25 0.0076 0.0291298 Uiso 1
        Li19 Li1+ 0.8701 0.25 0.2956 0.0511672 Uiso 1

_eof

#### End of Crystallographic Information File ####
