data_global
_chemical_name_mineral 'Novgorodovaite'
loop_
_publ_author_name
'Rastsvetaeva R K'
'Chukanov N V'
'Nekrasov Y V'
_journal_name_full 'Doklady Akademii Nauk SSSR'
_journal_volume 381 
_journal_year 2001
_journal_page_first 353
_journal_page_last 355
_publ_section_title
;
 Crystal structure of novgorodovaite, Ca2(C2O4)Cl2*2H2O
;
_database_code_amcsd 0012496
_chemical_formula_sum 'Ca C O3 Cl H2'
_cell_length_a 6.936
_cell_length_b 7.382
_cell_length_c 7.443
_cell_angle_alpha 90
_cell_angle_beta 94.3
_cell_angle_gamma 90
_cell_volume 380.020
_exptl_crystal_density_diffrn      2.404
_symmetry_space_group_name_H-M 'I 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-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   0.25140   0.00000  -0.13590   0.01165
C   0.00000   0.10530   0.50000   0.01254
O1   0.11900   0.18110   0.61060   0.01532
Cl   0.35850   0.00000   0.23500   0.01596
Ow2   0.00000   0.18910   0.00000   0.01722
H   0.05600   0.24100   0.08100   0.01267