data_global
_amcsd_formula_title 'Zn11(HPO3)8(OH)6'
loop_
_publ_author_name
'Marcos M'
'Amoros P'
'Le Bail A'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 107 
_journal_year 1993
_journal_page_first 250
_journal_page_last 257
_publ_section_title
;
 Synthesis and crystal structure of a tubular hydroxyphosphite:
 Zn11(HPO3)8(OH)6
 _cod_database_code 1000115
;
_database_code_amcsd 0013786
_chemical_formula_sum 'Zn5.5 P4 O15 H7'
_cell_length_a 12.872
_cell_length_b 12.872
_cell_length_c 4.9772
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 714.180
_exptl_crystal_density_diffrn      3.397
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Zn   0.42918   0.34856   0.00000   0.91670
P1   0.16139   0.83861   0.98100   1.00000
P2   0.66667   0.33333   0.75380   1.00000
O1   0.34370   0.07360   0.64370   1.00000
O2   0.19810   0.80190   0.71800   1.00000
O3   0.39870   0.60130   0.33900   1.00000
O4   0.47470   0.52530   0.80180   1.00000
H1   0.44900   0.55100   0.94000   1.00000
H2   0.09900  -0.09900   0.93000   1.00000
H3   0.66667   0.33333   0.47000   1.00000
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
Zn 0.01900 0.02050 0.01570 0.00930 -0.00200 -0.00290
P1 0.01230 0.01230 0.01220 0.00500 0.00000 0.00000
P2 0.00920 0.00920 0.01520 0.00460 0.00000 0.00000
O1 0.02450 0.01490 0.01310 0.01020 -0.00050 0.00190
O2 0.01880 0.01880 0.01300 0.00470 0.00540 -0.00540
O3 0.01340 0.01340 0.04870 0.00690 -0.00110 0.00110
O4 0.01870 0.01870 0.01450 0.01120 0.00200 -0.00200