data_global
_chemical_name_mineral 'Hopeite'
loop_
_publ_author_name
'Hill R J'
'Jones J B'
_journal_name_full 'American Mineralogist'
_journal_volume 61 
_journal_year 1976
_journal_page_first 987
_journal_page_last 995
_publ_section_title
;
 The crystal structure of hopeite
;
_database_code_amcsd 0000533
_chemical_formula_sum 'Zn3 P2 (O12 H10)'
_cell_length_a 10.597
_cell_length_b 18.318
_cell_length_c 5.031
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 976.597
_exptl_crystal_density_diffrn      3.130
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1   0.26365   0.25000   0.07280
Zn2   0.14273   0.49915   0.20780
P   0.39710   0.40580   0.22561
Wat1   0.10650   0.75000   0.25790
Wat2   0.11430   0.25000   0.34800
Wat3   0.33670   0.66950   0.33720
O4   0.35990   0.32750   0.28380
O5   0.10030   0.57950   0.42830
O6   0.02500   0.42170   0.14330
O-H7   0.30130   0.45970   0.35970
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
Zn1 0.01485 0.02193 0.01353 0.00000 -0.00103 0.00000
Zn2 0.01246 0.01666 0.01137 -0.00030 -0.00003 -0.00070
P 0.01468 0.01224 0.01195 0.00108 -0.00054 0.00079
Wat1 0.02048 0.03060 0.01782 0.00000 -0.00216 0.00000
Wat2 0.01593 0.04760 0.02282 0.00000 0.00486 0.00000
Wat3 0.02560 0.02720 0.03424 0.00688 0.00405 0.00187
O4 0.03129 0.01700 0.01859 -0.00787 -0.00729 0.00280
O5 0.05348 0.02210 0.01500 0.01180 -0.00621 -0.00420
O6 0.01479 0.01870 0.03321 -0.00295 0.00270 -0.00467
O-H7 0.01650 0.02380 0.01539 0.00590 -0.00378 -0.00514