#------------------------------------------------------------------------------
#$Date: 2014-07-23 10:49:31 +0100 (Wed, 23 Jul 2014) $
#$Revision: 120677 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/03/4000349.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4000349
_journal_name_full 'Chemistry of Materials'
_journal_year    2004
_chemical_formula_sum            'C3.5 Ga N0.5 O7 P2'
_[local]_cod_chemical_formula_sum_orig 'C3.50 Ga N0.50 O7 P2'
_chemical_formula_weight               292.70
_cell_formula_units_Z                  4
_symmetry_cell_setting                 monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
       1 +x,+y,+z
       2 -x,+y+1/2,-z+1/2
      -1 -x,-y,-z
      -2 +x,-y+1/2,+z+1/2
_cell_length_a                         11.08476(23)
_cell_length_b                         8.44413(18)
_cell_length_c                         9.44187(14)
_cell_angle_alpha                      90.0
_cell_angle_beta                       104.5374(14)
_cell_angle_gamma                      90.0
_cell_volume                           855.47498
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     0.13938(33)  0.2349(5)    0.6118(4)    1.0        Uiso   0.0191(6)     4
P
P1      0.2775(7)    0.0699(9)    0.4064(9)    1.0        Uiso   0.0191(6)     4
P
P2      0.0162(7)    0.0579(10)   0.3144(8)    1.0        Uiso   0.0191(6)     4
O
O1      0.1021(11)   0.0423(13)   0.7104(15)   1.0        Uiso   0.0107(15)    4
O
O2      0.0077(9)    0.1446(15)   0.1687(12)   1.0        Uiso   0.0107(15)    4
O
O3      0.2611(10)   0.2093(14)   0.2951(10)   1.0        Uiso   0.0107(15)    4
O
O4      0.0094(9)    0.1819(14)   0.4332(10)   1.0        Uiso   0.0107(15)    4
C
C1      0.1501(9)    0.9324(12)   0.3659(28)   1.0        Uiso   0.0107(15)    4
O
O7      0.4023(10)  -0.0161(16)   0.4248(14)   1.0        Uiso   0.0107(15)    4
O
O6      0.2812(9)    0.3632(15)   0.0579(12)   1.0        Uiso   0.0107(15)    4
O
O5      0.1786(12)   0.0587(12)   0.0048(14)   1.0        Uiso   0.0107(15)    4
C
C2      0.4156(14)   0.6035(20)   0.4178(22)   1.0        Uiso   0.0107(15)    4
N
N1      0.4372(17)   0.4603(26)   0.3618(10)   0.5        Uiso   0.0107(15)    4
C
C3      0.4625(19)   0.6282(16)   0.5674(24)   1.0        Uiso   0.0107(15)    4
C
CN1     0.4372(17)   0.4603(26)   0.3618(10)   0.5        Uiso   0.0107(15)    4
_cod_database_code 4000349
_journal_paper_doi 10.1021/cm034745q