data_global
_chemical_name_mineral 'Scholzite'
loop_
_publ_author_name
'Hill R J'
'Johnson J E'
'Jones J B'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1973 
_journal_year 1973
_journal_page_first 1
_journal_page_last 8
_publ_section_title
;
 Scholzite and other phosphate minerals from Reaphook Hill, South Australia
;
_database_code_amcsd 0014746
_chemical_compound_source 'Reaphook Hill, South Australia, Australia'
_chemical_formula_sum 'Ca.5 Zn P O5 H2'
_cell_length_a 17.16399
_cell_length_b 7.415
_cell_length_c 6.673
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 849.279
_exptl_crystal_density_diffrn      3.104
_symmetry_space_group_name_H-M 'P b c n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-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
Ca   0.01110   0.37900   0.24970   0.50000   0.00633
Zn   0.22110  -0.00160   0.18840   1.00000 ?
P   0.35010   0.17920   0.43940   1.00000   0.00697
O1   0.27790   0.04960   0.44240   1.00000   0.01064
O2   0.42670   0.07660   0.44440   1.00000   0.01862
Wat3   0.04900   0.14390   0.45120   1.00000   0.03027
O4   0.34390   0.29630   0.24910   1.00000   0.01292
O5   0.15740   0.20980   0.12870   1.00000   0.01849