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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/20/1542043.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1542043
loop_
_publ_author_name
'Solov'eva, L.P.'
'Bakakin, V.V.'
_publ_section_title
;
 Crystal Structure of Borakite Ca4 Mg (B4 O6 (O H)6) (C O3)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1453
_journal_page_last               1456
_journal_volume                  180
_journal_year                    1968
_chemical_formula_sum            'C2 H6 B4 Ca4 Mg O18'
_chemical_name_systematic        'Ca4 Mg B4 O6 (O H)6 (C O3)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.81
_cell_length_b                   8.36
_cell_length_c                   4.46
_cell_volume                     649.545
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Soloveva_DANKAS_1968_566.cif
_cod_data_source_block           C2H6B4Ca4Mg1O18
_cod_original_cell_volume        649.5453
_cod_original_formula_sum        'C2 H6 B4 Ca4 Mg1 O18'
_cod_database_code               1542043
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O6 O-2 0.1557 0.5 0.9574 1 0.0
O4 O-2 0.2154 0.3658 0.6486 1 0.0
B2 B+3 0.0956 0 0.6179 1 0.0
Ca1 Ca+2 0.1554 0.2333 0.1552 1 0.0
Mg1 Mg+2 0 0 0 1 0.0
C1 C+4 0.1954 0.5 0.7522 1 0.0
O1 O-2 0.0986 0 0.3067 1 0.0
O5 O-2 0.174 0 0.8231 1 0.0
B1 B+3 0 0.2405 0.5 1 0.0
O3 O-2 0.0416 0.3388 0.3092 1 0.0
O2 O-2 0.0553 0.1424 0.7218 1 0.0
