data_global
_chemical_name_mineral 'Junitoite'
loop_
_publ_author_name
'Yang H'
'Jenkins N G'
'Downs R T'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 68 
_journal_year 2012
_journal_page_first i73
_journal_page_last i73
_publ_section_title
;
 Redetermination of junitoite, CaZn2Si2O7*H2O
;
_database_code_amcsd 0019356
_chemical_compound_source 'Christmas Mine, Gila County, Arizona, USA'
_chemical_formula_sum 'Ca Zn2 Si2 O8 H2'
_cell_length_a 12.5302
_cell_length_b 6.3056
_cell_length_c 8.5617
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 676.464
_exptl_crystal_density_diffrn      3.506
_symmetry_space_group_name_H-M 'A b a 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,1/2-y,z'
  '1/2+x,-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2-x,+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   0.00000   0.50000   0.51882   0.00899
Zn   0.25216   0.24453   0.13494   0.00808
Si   0.11827   0.00274   0.39406   0.00615
O1   0.12311   0.29919   0.01003   0.01075
O2   0.12739   0.21991   0.49272   0.00990
O3   0.20596  -0.00482   0.25347   0.01007
O4   0.00000   0.00000   0.30367   0.00819
OW5   0.00000   0.50000   0.25181   0.02088
H   0.03502   0.44843   0.20019   0.03000
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 0.01062 0.00784 0.00850 0.00019 0.00000 0.00000
Zn 0.00755 0.00739 0.00931 -0.00067 0.00070 -0.00072
Si 0.00563 0.00687 0.00596 -0.00022 0.00019 0.00035
O1 0.00841 0.01119 0.01263 -0.00097 -0.00197 0.00459
O2 0.00865 0.01091 0.01015 0.00190 -0.00265 -0.00348
O3 0.01237 0.00798 0.00987 -0.00005 0.00448 0.00027
O4 0.00629 0.01121 0.00706 0.00000 0.00000 0.00000
OW5 0.02719 0.02784 0.00761 0.00997 0.00000 0.00000