data_global
_chemical_name_mineral 'Ruizite'
loop_
_publ_author_name
'Hawthorne F C'
_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_volume 33 
_journal_year 1984
_journal_page_first 135
_journal_page_last 146
_publ_section_title
;
 The crystal structure of ruizite, a sorosilicate with an (Si4PHI13) cluster
;
_database_code_amcsd 0019985
_chemical_compound_source 'Wessels mine, Kalahari manganese fields, South Africa'
_chemical_formula_sum 'Ca2 Mn2 Si4 O17 H6'
_cell_length_a 11.974
_cell_length_b 6.175
_cell_length_c 9.052
_cell_angle_alpha 90
_cell_angle_beta 91.34
_cell_angle_gamma 90
_cell_volume 669.117
_exptl_crystal_density_diffrn      2.881
_symmetry_space_group_name_H-M 'A 1 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.26000  -0.00310   0.70520   0.01013
Mn  -0.00100   0.25000   0.24890   0.00532
Si1   0.15110   0.00020   0.03570   0.00507
Si2   0.39530   0.01550   0.10430   0.00735
O1   0.09250  -0.00230   0.87350   0.00861
O2   0.28610   0.00130  -0.00750   0.00874
O3   0.12240   0.21910   0.12960   0.00836
O4   0.86570   0.78570   0.86520   0.00722
O5   0.50000   0.05600   0.00000   0.01938
O6   0.38590   0.20650   0.22320   0.01089
O7   0.59460   0.77440   0.81850   0.01494
O8   0.04590   0.00440   0.36810   0.00760
O9   0.27850  -0.01320   0.44350   0.01912
H7   0.51000   0.73000   0.22000   0.01267
H9A   0.34000   0.03000   0.40000   0.01267
H9B   0.23000   0.05000   0.39000   0.01267