data_global
_chemical_name_mineral 'Shattuckite'
loop_
_publ_author_name
'Evans H T'
'Mrose M E'
_journal_name_full 'American Mineralogist'
_journal_volume 62 
_journal_year 1977
_journal_page_first 491
_journal_page_last 502
_publ_section_title
;
 The crystal chemistry of the hydrous copper silicates, shattuckite and
 plancheite
 Note: sample is from Ajo, Arizona
;
_database_code_amcsd 0000578
_chemical_formula_sum 'Cu5 Si4 O14 H2'
_cell_length_a 9.885
_cell_length_b 19.832
_cell_length_c 5.3825
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1055.182
_exptl_crystal_density_diffrn      4.130
_symmetry_space_group_name_H-M 'P c a b'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.50000   0.00000   0.50000
Cu2   0.33090   0.02547   0.03970
Cu3   0.25205   0.28125   0.46765
Si1   0.54485   0.13502   0.21730
Si2   0.39742   0.15706   0.72650
O1   0.50540   0.05540   0.19960
O2   0.34260   0.08050   0.74390
O3   0.70760   0.15120   0.22030
O4   0.49130   0.17350   0.97080
O5   0.49070   0.16700   0.47770
O6   0.28360   0.21630   0.71930
O-h7   0.67790   0.02430   0.64260
H   0.71000   0.43500   0.63000
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
Cu1 0.00880 0.00790 0.00930 -0.00320 -0.00300 0.00420
Cu2 0.00950 0.00800 0.00730 -0.00250 -0.00140 0.00200
Cu3 0.01080 0.00460 0.00660 0.00010 -0.00250 -0.00040
Si1 0.00620 0.00390 0.00520 -0.00040 0.00140 0.00060
Si2 0.00640 0.00340 0.00530 0.00010 -0.00020 0.00030
O1 0.01050 0.00510 0.00670 -0.00380 -0.00290 0.00310
O2 0.01570 0.00320 0.01190 -0.00290 -0.00220 0.00240
O3 0.00510 0.00570 0.00830 -0.00240 0.00050 0.00180
O4 0.01010 0.00730 0.00610 -0.00140 -0.00070 -0.00100
O5 0.01360 0.00710 0.00690 0.00070 0.00290 -0.00370
O6 0.01090 0.00510 0.00430 0.00320 -0.00230 -0.00230
O-h7 0.00910 0.00590 0.00690 -0.00210 0.00160 -0.00020