data_global
_chemical_name_mineral 'Zanazziite'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Rozenberg K A'
'Chukanov N V'
'Mockel S'
_journal_name_full 'Crystallography Reports'
_journal_volume 54 
_journal_year 2009
_journal_page_first 568
_journal_page_last 571
_publ_section_title
;
 The crystal structure of an iron-rich variety of zanazziite belonging to
 heteropolyhedral framework roscherite-group beryllophosphates
;
_database_code_amcsd 0012416
_chemical_compound_source 'Sapucaia mine, Minas Gerais, Brazil'
_chemical_formula_sum 'Ca Mg1.61 Fe.97 Al.26 Mn.18 Be2 P3 O17 H7.5'
_cell_length_a 15.876
_cell_length_b 11.860
_cell_length_c 6.607
_cell_angle_alpha 90
_cell_angle_beta 95.490
_cell_angle_gamma 90
_cell_volume 1238.321
_exptl_crystal_density_diffrn      2.901
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
CaA   0.00000   0.25940   0.25000   1.00000   0.01748
MgA1   0.00000   0.00000   0.00000   0.65000   0.00583
FeA1   0.00000   0.00000   0.00000   0.35000   0.00583
MgB2   0.17140   0.16300   0.99580   0.48000   0.01583
FeB2   0.17140   0.16300   0.99580   0.31000   0.01583
AlB   0.17140   0.16300   0.99580   0.13000   0.01583
MnB   0.17140   0.16300   0.99580   0.09000   0.01583
Be   0.33270   0.17740   0.30320   1.00000   0.01520
P1   0.18770   0.11620   0.47760   1.00000   0.01127
P2   0.00000   0.27260   0.75000   1.00000   0.01279
O1   0.35570   0.49810   0.50030   1.00000   0.01773
O2   0.28250   0.09960   0.44990   1.00000   0.01646
O3   0.14450   0.18260   0.29690   1.00000   0.01520
O4   0.31960   0.31550   0.32470   1.00000   0.01393
O5   0.45830   0.30020   0.07470   1.00000   0.02026
O6   0.43430   0.15100   0.34160   1.00000   0.01773
O-h1   0.29980   0.16420   0.06350   1.00000   0.01646
Wat1   0.00000   0.04030   0.25000   0.50000   0.02026
O-H2   0.00000   0.04030   0.25000   0.50000   0.02026
OW2   0.09330   0.41970   0.21960   1.00000   0.04686
H1   0.07700   0.48400   0.18000   1.00000   0.03800
H2   0.17500   0.37700   0.98000   1.00000   0.03800
H3   0.12400   0.42100   0.32000   1.00000   0.03800