data_global
_chemical_name_mineral 'Greifensteinite'
loop_
_publ_author_name
'Barinova A V'
'Rastsvetaeva R K'
'Chukanov N V'
'Pietraszko A'
_journal_name_full 'Crystallography Reports'
_journal_volume 49 
_journal_year 2004
_journal_page_first 942
_journal_page_last 945
_publ_section_title
;
 Refinement of the crystal structure of Zn-containing greifensteinite
;
_database_code_amcsd 0019974
_chemical_compound_source 'Pirineus mine, Minas Gerais, Brazil'
_chemical_formula_sum 'Ca Mn.57 Fe1.176 Zn.36 Mg.096 Al.14 P3 Be2 O17 H8'
_cell_length_a 15.941
_cell_length_b 11.877
_cell_length_c 6.625
_cell_angle_alpha 90
_cell_angle_beta 95.09
_cell_angle_gamma 90
_cell_volume 1249.373
_exptl_crystal_density_diffrn      2.965
_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
Ca   0.00000   0.25710   0.25000   1.00000   0.02660
MnM1   0.00000   0.00000   0.00000   0.34000   0.02584
FeM2   0.17130   0.16160   0.99600   0.58800   0.02862
ZnM2   0.17130   0.16160   0.99600   0.18000   0.02862
MnM2   0.17130   0.16160   0.99600   0.11500   0.02862
MgM2   0.17130   0.16160   0.99600   0.04800   0.02862
AlM2   0.17130   0.16160   0.99600   0.07000   0.02862
P1   0.18800   0.11730   0.47790   1.00000   0.02406
P2   0.00000   0.27400   0.75000   1.00000   0.02026
Be   0.33300   0.17800   0.29900   1.00000   0.03293
O1   0.35590   0.49730   0.49800   1.00000   0.03040
O2   0.28240   0.09990   0.45000   1.00000   0.02660
O3   0.14540   0.18230   0.29900   1.00000   0.02406
O4   0.31880   0.31360   0.32800   1.00000   0.02026
O5   0.45830   0.29700   0.07400   1.00000   0.02406
O6   0.43380   0.15050   0.34200   1.00000   0.02660
O-H   0.30000   0.16400   0.06200   1.00000   0.02406
Ow1   0.09280   0.41940   0.21900   1.00000   0.03166
Wat2   0.00000   0.04100   0.25000   1.00000   0.04179
H1   0.08200   0.48800   0.17900   1.00000   0.03800
H2   0.15000   0.41700   0.18000   1.00000   0.03800