data_global
_chemical_name_mineral 'Hardystonite'
loop_
_publ_author_name
'Bindi L'
'Bonazzi P'
'Rothlisberger F'
_journal_name_full 'American Mineralogist'
_journal_volume 86 
_journal_year 2001
_journal_page_first 747
_journal_page_last 751
_publ_section_title
;
 Hardystonite from Franklin Furnace: A natural modulated melilite
;
_database_code_amcsd 0002657
_chemical_formula_sum '(Ca1.86 Na.14) Zn.85 Al.07 Mg.03 Mn.04 Fe.02 Si2 O7'
_cell_length_a 7.800
_cell_length_b 7.800
_cell_length_c 5.000
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 304.200
_exptl_crystal_density_diffrn      3.356
_symmetry_space_group_name_H-M 'P -4 21 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2-y,1/2-x,z'
  'y,-x,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,z'
  '1/2+y,1/2+x,z'
  '-y,x,-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
CaX   0.33260   0.16740   0.50590   0.93000
NaX   0.33260   0.16740   0.50590   0.07000
Zn1   0.00000   0.00000   0.00000   0.85000
Al1   0.00000   0.00000   0.00000   0.07000
Mg1   0.00000   0.00000   0.00000   0.03000
Mn1   0.00000   0.00000   0.00000   0.04000
Fe1   0.00000   0.00000   0.00000   0.02000
Si2   0.14000   0.36000   0.93860   1.00000
O1   0.50000   0.00000   0.17770   1.00000
O2   0.14100   0.35900   0.25690   1.00000
O3   0.08200   0.18720   0.78670   1.00000
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
CaX 0.02400 0.02400 0.01400 0.01040 0.00160 -0.00160
NaX 0.02400 0.02400 0.01400 0.01040 0.00160 -0.00160
Zn1 0.01250 0.01250 0.01270 0.00000 0.00000 0.00000
Al1 0.01250 0.01250 0.01270 0.00000 0.00000 0.00000
Mg1 0.01250 0.01250 0.01270 0.00000 0.00000 0.00000
Mn1 0.01250 0.01250 0.01270 0.00000 0.00000 0.00000
Fe1 0.01250 0.01250 0.01270 0.00000 0.00000 0.00000
Si2 0.01240 0.01240 0.00990 0.00060 0.00050 -0.00050
O1 0.03800 0.03800 0.00900 -0.02600 0.00000 0.00000
O2 0.02700 0.02700 0.01100 0.01000 -0.00200 0.00200
O3 0.04500 0.02000 0.01700 -0.01000 0.00900 -0.00300