data_global
_chemical_name_mineral 'Armstrongite'
loop_
_publ_author_name
'Kashaev A A'
'Sapozhnikov A N'
_journal_name_full 'Kristallografiya'
_journal_volume 23 
_journal_year 1978
_journal_page_first 956
_journal_page_last 961
_publ_section_title
;
 Crystal structure of armstrongite
;
_database_code_amcsd 0014184
_chemical_formula_sum 'Ca Zr Si6 O17 H4'
_cell_length_a 14.04
_cell_length_b 14.16
_cell_length_c 7.81
_cell_angle_alpha 90
_cell_angle_beta 109.55
_cell_angle_gamma 90
_cell_volume 1463.166
_exptl_crystal_density_diffrn      2.614
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,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_U_iso_or_equiv
Ca   0.24800   0.25300   0.05300   0.01646
Zr   0.25800   0.00000   0.02400   0.01646
Si1   0.17400   0.13900   0.33800   0.01646
Si2   0.20200   0.36800   0.34500   0.01646
Si3   0.34200   0.36300   0.74300   0.01646
Si4   0.33700   0.14300   0.71800   0.01646
Si5   0.00200   0.00500   0.29900   0.01646
Si6   0.00800   0.49100   0.29400   0.01646
O1   0.50000   0.47600   0.50000   0.01646
O2   0.00000   0.49200   0.50000   0.01646
O3   0.26800   0.11700   0.51200   0.01646
O4   0.25200   0.39800   0.55100   0.01646
O5   0.21200   0.10200   0.17600   0.01646
O6   0.31000   0.37800   0.92100   0.01646
O7   0.24200   0.41600   0.19500   0.01646
O8   0.28200   0.11000   0.86200   0.01646
O9   0.18100   0.25300   0.32100   0.01646
O10   0.37000   0.25200   0.72400   0.01646
O11   0.06100   0.10300   0.32500   0.01646
O12   0.45000   0.42300   0.78100   0.01646
O13   0.08700   0.40400   0.30000   0.01646
O14   0.44300   0.09100   0.73500   0.01646
O15  -0.09000   0.47600   0.11400   0.01646
O16  -0.11600   0.02800   0.17600   0.01646
Wat1   0.09700   0.23800   0.77700   0.01646
Wat2   0.43400   0.23100   0.17600   0.01646