data_10404-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                10404
_audit_creation_date               1980/01/01
_audit_update_record               1998/06/26
_chemical_name_systematic          'Calcium Magnesium Carbonate'
_chemical_formula_structural       'Ca Mg (C O3)2'
_chemical_formula_sum              'C2 Ca1 Mg1 O6'
_chemical_name_mineral             Dolomite
_publ_section_title
;
Structural refinements of dolomite and a magnesian calcite and 
implications for dolomite formation in the marine environment
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'American Mineralogist' 1977 62 772 783 AMMIAY
2 'American Mineralogist' 1959 44 679 682 AMMIAY
_publ_author_name                  'Althoff, P.L.'
_cell_length_a                     4.8033(9)
_cell_length_b                     4.8033(9)
_cell_length_c                     15.984(4)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       319.37
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
_refine_ls_R_factor_all            0.045
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, x, -z'
  2	'y, -x+y, -z'
  3	'-x, -y, -z'
  4	'-x+y, -x, z'
  5	'-y, x-y, z'
  6	'x, y, z'
  7	'x-y+2/3, x+1/3, -z+1/3'
  8	'x-y+1/3, x+2/3, -z+2/3'
  9	'y+2/3, -x+y+1/3, -z+1/3'
 10	'y+1/3, -x+y+2/3, -z+2/3'
 11	'-x+2/3, -y+1/3, -z+1/3'
 12	'-x+1/3, -y+2/3, -z+2/3'
 13	'-x+y+2/3, -x+1/3, z+1/3'
 14	'-x+y+1/3, -x+2/3, z+2/3'
 15	'-y+2/3, x-y+1/3, z+1/3'
 16	'-y+1/3, x-y+2/3, z+2/3'
 17	'x+2/3, y+1/3, z+1/3'
 18	'x+1/3, y+2/3, z+2/3'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C4+	4
Ca2+	2
Mg2+	2
O2-	-2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
Ca1 Ca2+ 3 a 0 0 0 1. 0 
Mg1 Mg2+ 3 b 0 0 0.5 1. 0 
C1 C4+ 6 c 0 0 -.2423(2) 1. 0 
O1 O2- 18 f 0.2829(3) 0.0350(4) -.24397(9) 1. 0 

#End of data_10404-ICSD


