data_4000453
_journal_name_full 'Chemistry of Materials'
_journal_year    2004
_chemical_formula_sum                  "C4 F Ga O4 P"
_chemical_formula_weight               231.73
_cell_formula_units_Z                  2
_pd_prep_pressure                 Atmospheric pressure
_pd_prep_temperature              298 K
_pd_char_colour                   White
_refine_ls_shift/su_max                0.02
_refine_ls_shift/su_mean               0.00
_refine_ls_number_parameters           81
_refine_ls_goodness_of_fit_all         3.36
_refine_ls_number_restraints           23
_refine_ls_matrix_type                 full
_symmetry_cell_setting                 triclinic
_symmetry_space_group_name_H-M         'P -1'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
       1 +x,+y,+z
      -1 -x,-y,-z
_cell_length_a                         4.96726(10)
_cell_length_b                         7.08981(15)
_cell_length_c                         10.12196(28)
_cell_angle_alpha                      92.6981(21)
_cell_angle_beta                       93.1525(18)
_cell_angle_gamma                      109.1220(15)
_cell_volume                           335.48477
loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
GA
GA1     0.0          0.5          0.5          1.0        Uiso   0.0052(4)     1
GA
GA2     0.5          0.0          0.5          1.0        Uiso   0.0052(4)     1
P
P1      0.4019(10)   0.3434(7)    0.3207(5)    1.0        Uiso   0.0052(4)     2
O
O1      0.6653(15)   0.5063(12)   0.3890(8)    1.0        Uiso   0.0052(4)     2
F
F1      0.8189(15)   0.2368(9)    0.5493(7)    1.0        Uiso   0.0052(4)     2
O
O2      0.2895(17)   0.0895(14)   0.6450(8)    1.0        Uiso   0.0052(4)     2
O
O3      0.3483(19)   0.1382(11)   0.3746(9)    1.0        Uiso   0.0052(4)     2
O
O4      0.1294(16)   0.4123(13)   0.3365(7)    1.0        Uiso   0.0052(4)     2
C
C1      0.4533(25)   0.3141(20)   0.1469(10)   1.0        Uiso   0.0052(4)     2
C
C2      0.2180(26)   0.1454(19)   0.0693(14)   1.0        Uiso   0.0052(4)     2
C
C3      0.1934(27)  -0.0475(23)   0.0866(13)   1.0        Uiso   0.0052(4)     2
C
C4      0.0295(33)   0.1977(15)  -0.0169(15)   1.0        Uiso   0.0052(4)     2