data_global
_amcsd_formula_title 'Bi9 Cl O18 V2'
loop_
_publ_author_name
'Mentre O'
'Abraham F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 136 
_journal_year 1998
_journal_page_first 34
_journal_page_last 45
_publ_section_title
;
 Synthesis, crystal structure, infrared characterization, and electrical
 properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)
 _cod_database_code 1004152
;
_database_code_amcsd 0013948
_chemical_formula_sum 'Bi9 V2 Cl O18'
_cell_length_a 11.671
_cell_length_b 5.463
_cell_length_c 14.792
_cell_angle_alpha 90
_cell_angle_beta 93.67
_cell_angle_gamma 90
_cell_volume 941.184
_exptl_crystal_density_diffrn      8.138
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi1   0.30514   0.25000   0.21706   1.00000
Bi2   0.54312   0.25000   0.65271   1.00000
Bi3   0.86075   0.25000   0.66356   1.00000
Bi4   0.95414   0.25000   0.15650   1.00000
Bi5   0.61437   0.25000   0.20042   1.00000
Bi6   0.26125   0.25000   0.47071   1.00000
Bi7   0.26166   0.25000   0.95538   1.00000
Bi8   0.96168   0.25000   0.41215   1.00000
Bi9   0.55723   0.30570   0.91299   0.50000
V1   0.19840   0.25000   0.71960   1.00000
V2   0.86090   0.25000   0.90700   1.00000
Cl1   0.57150   0.25000   0.43300   1.00000
O1   0.59950  -0.00300   0.08610   1.00000
O2   0.45380  -0.00100   0.22790   1.00000
O3   0.29500   0.50500   0.35990   1.00000
O4   0.10470   0.49300   0.45260   1.00000
O5   0.36130   0.25000   0.07680   1.00000
O6   0.76120   0.25000   0.81960   1.00000
O7   0.18720   0.00400   0.21010   1.00000
O8   0.04660   0.25000   0.28140   1.00000
O9   0.09750   0.25000   0.63330   1.00000
O10   0.33110   0.25000   0.68650   1.00000
O11   0.98800   0.15100   0.88180   0.50000
O12   0.87250   0.58600   0.91360   0.50000
O13   0.81090   0.16500   0.00250   0.50000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi1 0.00610 0.01120 0.00960 0.00000 0.00040 0.00000
Bi2 0.00850 0.00920 0.00640 0.00000 -0.00100 0.00000
Bi3 0.00800 0.02160 0.00670 0.00000 0.00100 0.00000
Bi4 0.00640 0.02380 0.00680 0.00000 0.00040 0.00000
Bi5 0.00740 0.02500 0.00960 0.00000 0.00050 0.00000
Bi6 0.01020 0.01630 0.00550 0.00000 -0.00060 0.00000
Bi7 0.00750 0.01140 0.00690 0.00000 0.00010 0.00000
Bi8 0.00780 0.01120 0.00990 0.00000 0.00050 0.00000
Bi9 0.00950 0.01580 0.02210 0.00440 0.00410 0.00830
V1 0.00600 0.00800 0.00800 0.00000 -0.00100 0.00000
V2 0.00600 0.03200 0.00600 0.00000 0.00000 0.00000
Cl1 0.08100 0.02600 0.02200 0.00000 0.00040 0.00000