data_global
_chemical_name_mineral 'Zincalstibite'
loop_
_publ_author_name
'Mills S J'
'Christy A G'
'Kampf A R'
'Housley R M'
'Favreau G'
'Boulliard J C'
'Bourgoin V'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 76 
_journal_year 2012
_journal_page_first 1337
_journal_page_last 1345
_publ_section_title
;
 Zincalstibite-9R: the first nine-layer polytype with the layered double
 hydroxide structure-type
;
_database_code_amcsd 0019586
_chemical_compound_source 'Monte Avanza mine, Udine Province, Italy'
_chemical_formula_sum 'Zn3.68 Al2.46 Cu2.86 Sb3 (O36 H36)'
_cell_length_a 5.340
_cell_length_b 5.340
_cell_length_c 88.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2173.427
_exptl_crystal_density_diffrn      3.361
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
ZnM1   0.33333   0.66667   0.16667   0.70000   0.03600
AlM1   0.33333   0.66667   0.16667   0.30000   0.03600
ZnM2   0.00000   0.00000   0.16691   0.76000   0.03600
AlM2   0.00000   0.00000   0.16691   0.24000   0.03600
ZnM3   0.66667   0.33333   0.05575   0.73000   0.03600
AlM3   0.66667   0.33333   0.05575   0.27000   0.03600
CuM4   0.00000   0.00000   0.05535   0.74000   0.03300
AlM4   0.00000   0.00000   0.05535   0.26000   0.03300
CuM5   0.33333   0.66667   0.05548   0.69000   0.03100
AlM5   0.33333   0.66667   0.05548   0.31000   0.03100
Sb1   0.00000   0.00000   0.11113   0.50000   0.04100
Sb2   0.66667   0.33333  -0.00001   0.50000   0.07500
Sb3   0.33333   0.66667   0.11114   0.50000   0.01800
O-H1   0.00300   0.33500   0.15519   1.00000   0.04300
O-H2   0.66400  -0.00300   0.06687   1.00000   0.05000
O-H3   0.66600   0.66700   0.04421   1.00000   0.04900
O-H4   0.19300  -0.14000   0.12495   0.50000   0.05900
O-H5   0.66800   0.86300   0.09753   0.50000   0.05900
O-H6   0.00000   0.52000  -0.01376   0.50000   0.06600
O-H4'   0.47900   0.01100   0.12440   0.25000   0.03600
O-H5'   0.53100   0.01400   0.09800   0.25000   0.04500
O-H6'   0.14300   0.81000  -0.01400   0.25000   0.03300
O-H4"   0.34200   0.15000   0.12460   0.25000   0.06800
O-H5"   0.80600   0.14800   0.09760   0.25000   0.06500
O-H6"   0.86000   0.66600  -0.01400   0.25000   0.04100
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
ZnM1 0.03000 0.03000 0.04900 0.01500 0.00000 0.00000
AlM1 0.03000 0.03000 0.04900 0.01500 0.00000 0.00000
ZnM2 0.03000 0.03000 0.04800 0.01510 0.00000 0.00000
AlM2 0.03000 0.03000 0.04800 0.01510 0.00000 0.00000
ZnM3 0.02900 0.02900 0.04900 0.01500 0.00000 0.00000
AlM3 0.02900 0.02900 0.04900 0.01500 0.00000 0.00000
CuM4 0.02700 0.02700 0.04500 0.01350 0.00000 0.00000
AlM4 0.02700 0.02700 0.04500 0.01350 0.00000 0.00000
CuM5 0.02600 0.02600 0.04200 0.01310 0.00000 0.00000
AlM5 0.02600 0.02600 0.04200 0.01310 0.00000 0.00000
Sb1 0.04300 0.04300 0.03700 0.02170 0.00000 0.00000
Sb2 0.07600 0.07600 0.07400 0.03790 0.00000 0.00000
Sb3 0.02000 0.02000 0.01500 0.00990 0.00000 0.00000
O-H1 0.03300 0.03900 0.05800 0.01800 0.00300 0.00200
O-H2 0.04100 0.03800 0.07100 0.02000 0.00000 -0.00100
O-H3 0.03600 0.03700 0.07100 0.01500 0.00200 -0.00100