data_global
_chemical_name_mineral 'Clinohedrite'
loop_
_publ_author_name
'Venetopoulos C C'
'Rentzeperis P J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 144 
_journal_year 1976
_journal_page_first 377
_journal_page_last 392
_publ_section_title
;
 Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O
;
_database_code_amcsd 0010788
_chemical_formula_sum 'Ca Zn Si O5 H2'
_cell_length_a 5.090
_cell_length_b 15.829
_cell_length_c 5.386
_cell_angle_alpha 90
_cell_angle_beta 103.26
_cell_angle_gamma 90
_cell_volume 422.379
_exptl_crystal_density_diffrn      3.390
_symmetry_space_group_name_H-M 'C 1 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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca   0.34800   0.57240   0.63840   0.00279
Zn   0.00000   0.24928   0.00000   0.00279
Si   0.01390   0.36180   0.51830   0.00076
O1   0.14100   0.29340   0.34760   0.00494
O2   0.12790   0.34060   0.81550   0.00507
O3   0.10670   0.54590   0.94790   0.00405
O-h1   0.14150   0.95910   0.85640   0.00887
O-h2   0.18760   0.14430   0.94890   0.00367
H1   0.18600   0.91600   0.72500   0.00836
H2   0.32000   0.98600   0.94200   0.00836
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ca 0.00280 0.00270 0.00260 0.00000 0.00050 0.00000
Zn 0.00280 0.00210 0.00330 0.00000 -0.00050 0.00000
Si 0.00040 0.00100 0.00130 0.00000 0.00050 0.00000
O1 0.00400 0.00530 0.00450 0.00000 0.00150 0.00000
O2 0.00870 0.00450 0.00220 0.00000 -0.00100 0.00000
O3 0.00550 0.00240 0.00460 0.00000 0.00350 0.00000
O-h1 0.00670 0.00770 0.01120 0.00000 0.00320 0.00000
O-h2 0.00030 0.00480 0.00600 0.00000 0.00040 0.00000
H1 0.00840 0.00840 0.00840 0.00000 0.00190 0.00000
H2 0.00840 0.00840 0.00840 0.00000 0.00190 0.00000