LMucko/crystallography-open-database huggingface dataset:
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101264
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            Cu
_chemical_formula_weight         63.55
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.61696(6)
_cell_length_b                   3.61696
_cell_length_c                   3.61696
_cell_volume                     47.3180(20)
_pd_block_id
2006-04-06T16:45|OJR181_1LI_phase2|Simon_Clarke||
_pd_phase_name                   Cu
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      Fm-3m
_cod_database_code               7101264
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101265
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            'S Sr'
_chemical_formula_weight         119.68
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   6.0190(7)
_cell_length_b                   6.019
_cell_length_c                   6.019
_cell_volume                     218.05(8)
_pd_block_id
2006-04-06T16:45|OJR181_1LI_phase3|Simon_Clarke||
_pd_phase_name                   SrS
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      Fm-3m
_cod_database_code               7101265
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101266
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            'O Sr'
_chemical_formula_weight         103.62
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.1326(7)
_cell_length_b                   5.1326
_cell_length_c                   5.1326
_cell_volume                     135.21(6)
_pd_block_id
2006-04-06T16:45|OJR181_1LI_phase4|Simon_Clarke||
_pd_phase_name                   SrO
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      Fm-3m
_cod_database_code               7101266
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101267
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            V
_chemical_formula_weight         50.94
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.0260(5)
_cell_length_b                   3.026
_cell_length_c                   3.026
_cell_volume                     27.708(14)
_diffrn_radiation_probe          neutron
_exptl_absorpt_correction_T_max  0.92967
_exptl_absorpt_correction_T_min  0.52337
_exptl_absorpt_process_details
; GSAS Absorption/surface roughness correction: function number 0
Debye-Scherrer absorption correction
Term (= MU.r/wave) = 0.14491
Correction is refined.
;
_pd_block_id
2006-04-06T16:45|OJR181_1LI_phase5|Simon_Clarke||
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_fixed            35.00
_pd_meas_number_of_points        5368
_pd_phase_name                   V
_pd_proc_info_datetime           2006-04-06T16:45:53
_pd_proc_ls_background_function
; GSAS Background function number 1 with 24 terms.
Shifted Chebyshev function of 1st kind
1: 1668.67 2: 2853.23 3: 1649.04 4: 120.909
5: -1230.36 6: -2059.04 7: -2256.87 8: -1953.35
9: -1388.12 10: -800.233 11: -342.601 12: -66.0140
13: 52.2147 14: 70.4451 15: 49.3234 16: 28.3758
17: 23.7357 18: 32.0630 19: 40.3446 20: 40.4690
21: 31.6649 22: 18.5413 23: 7.78314 24: 1.94792
;
_pd_proc_ls_prof_R_factor        0.0266
_pd_proc_ls_prof_wR_expected     0.0103
_pd_proc_ls_prof_wR_factor       0.0192
_pd_proc_number_of_points        5368
_refine_ls_R_Fsqd_factor         0.03845
_reflns_d_resolution_high        0.558
_reflns_d_resolution_low         4.468
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              34
_reflns_limit_l_min              0
_reflns_number_total             442
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               7101267
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101268
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            'Li3.62 Mn O2 S3 Sr2'
_chemical_formula_weight         383.45
_chemical_name_systematic        ' Strontium lithium manganese oxide sulfide'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   4.05416(9)
_cell_length_b                   4.05416
_cell_length_c                   11.79624(34)
_cell_volume                     193.885(11)
_computing_structure_refinement  GSAS
_pd_block_id
2006-04-06T17:23|OJR161_2LI|Simon_Clarke|Overall
_pd_phase_name                   Sr2MnO2Li4.2S3
_pd_proc_ls_prof_R_factor        0.0301
_pd_proc_ls_prof_wR_factor       0.0170
_refine_ls_goodness_of_fit_all   1.35
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            b605105g.txt
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (69
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (402 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7101268
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101269
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            Cu
_chemical_formula_weight         63.55
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.61447(5)
_cell_length_b                   3.61447
_cell_length_c                   3.61447
_cell_volume                     47.2210(20)
_pd_block_id
2006-04-06T17:23|OJR161_2LI_phase2|Simon_Clarke||
_pd_phase_name                   Cu
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      Fm-3m
_cod_database_code               7101269
Reversible lithium insertion and copper extrusion in layered oxysulfides
Simon Clarke; Oliver J. Rutt; Gareth R. Williams; Chemical Communications  (2006) –; doi:10.1039/b605105g

data_7101270
_publ_section_title
;
Reversible lithium insertion and copper extrusion in
layered oxysulfides
;
_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b605105g
_journal_year                    2006
_chemical_formula_sum            V
_chemical_formula_weight         50.94
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   3.02658(28)
_cell_length_b                   3.02658
_cell_length_c                   3.02658
_cell_volume                     27.724(8)
_diffrn_radiation_probe          neutron
_exptl_absorpt_process_details
; GSAS Absorption/surface roughness correction: function number 0
Debye-Scherrer absorption correction
Term (= MU.r/wave) = 0.11605
Correction is refined.
;
_pd_block_id
2006-04-06T17:23|OJR161_2LI_phase3|Simon_Clarke||
_pd_instr_location               ' ?'
_pd_meas_number_of_points        5368
_pd_phase_name
'from U:/Oliver/Part II/GSAS/OJR58_real2/I4MMM_SJC.EXP'
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
; GSAS Background function number 1 with 10 terms.
Shifted Chebyshev function of 1st kind
1: 8.06424 2: -2.11058 3: 0.510905 4: -0.416448
5: 0.402569 6: -0.327386 7: 0.249935 8: -2.429570E-02
9: 2.393500E-0210: 7.557630E-02
;
_pd_proc_ls_prof_R_factor        0.0265
_pd_proc_ls_prof_wR_expected     0.0084
_pd_proc_ls_prof_wR_factor       0.0142
_pd_proc_number_of_points        5368
_pd_spec_mounting                ' ?'
_refine_ls_R_Fsqd_factor         0.06959
_reflns_d_resolution_high        0.483
_reflns_d_resolution_low         5.898
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_total             660
_cod_data_source_file            b605105g.txt
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               7101270
Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals
W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell; Chemical Communications  (2006) –; doi:10.1039/b613073a

data_7101603
_publ_section_title
;
Exploring cocrystal-cocrystal reactivity via
liquid-assisted grinding: assembling of racemic and dismantling of
enantiomeric cocrystals
;
_journal_issue                   48
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b613073a
_journal_year                    2006
_chemical_formula_moiety         'C4 H6 O6, 2(C7 H8 N4 O2)'
_chemical_formula_sum            'C18 H22 N8 O10'
_chemical_formula_weight         510.44
_chemical_name_common            'theophylline L-tartaric acid 2/1'
_chemical_name_systematic
;
theophylline L-tartaric acid 2/1
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2006-09-04T17:51
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 100.685(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   8.9522(4)
_cell_length_b                   6.7582(5)
_cell_length_c                   18.8755(14)
_cell_volume                     1122.19(13)
_computing_structure_refinement  GSAS
_pd_block_id
2006-09-04T17:51|TP-L-TART_LONGER_GRI|Burley|Overall
_pd_char_colour                  colourless
_pd_prep_temperature             300
_pd_proc_ls_prof_wR_factor       0.0619
_refine_ls_goodness_of_fit_all   1.30
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_restraints     191
_refine_ls_R_factor_all          0.0817
_refine_ls_shift/su_max          0.11
_refine_ls_shift/su_mean         0.02
_cod_data_source_file            b613073a.txt
_cod_database_code               7101603
Increased crystal porosity and enhanced gas adsorption by intracolumnar gliding for broadband gas detection.
Naumov, Pance; Sakurai, Kenji; Nukui, Akihiko; Tanaka, Masahiko; Chemical communications (Cambridge, England)  (2007) 347–349; doi:10.1039/b610950k

data_7101657
_publ_section_title
;
 Increased crystal porosity and enhanced gas adsorption by
 intracolumnar gliding for broadband gas detection.
;
_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              347
_journal_page_last               349
_journal_paper_doi               10.1039/b610950k
_journal_year                    2007
_chemical_name_common            'CuNO blue'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 106.8322(21)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   15.41781(56)
_cell_length_b                   8.33658(26)
_cell_length_c                   16.40034(59)
_cell_volume                     2017.6(2)
_pd_block_id
;bis(N,N-diethylethylenediamine)copper(II) nitrate monohydrate
obtained from the red anhydrate exposed to moist air'
;
_pd_phase_name                   CuNO_blue
_cod_data_source_file            b610950k.txt
_cod_data_source_block           RIETAN_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7101657
Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.
Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S; Chemical communications (Cambridge, England)  (2007) 837–839; doi:10.1039/b614048c

data_7101735
_publ_section_title
;
 Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like
 framework phase in the Na-Ge system.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              837
_journal_page_last               839
_journal_paper_doi               10.1039/b614048c
_journal_year                    2007
_chemical_formula_sum            'Ge12.31 Na2.85'
_chemical_formula_weight         959.05
_chemical_name_common            'Na Ge3'
_chemical_name_systematic        ' ?'
_space_group_IT_number           175
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_audit_creation_date             2006-06-17T08:48
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2006-06-17T08:48 Initial CIF as created by GSAS2CIF
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   15.05399(5)
_cell_length_b                   15.05399
_cell_length_c                   3.968450(15)
_cell_volume                     778.852(5)
_computing_structure_refinement  GSAS
_pd_block_id                     2006-06-17T08:48|NAGE3|James_A._Kaduk|ID32
_pd_phase_name                   'Na Ge3'
_refine_ls_goodness_of_fit_all   1.47
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_restraints     8
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            b614048c.txt
_cod_data_source_block           compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (56
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (106 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7101735
Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.
Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S; Chemical communications (Cambridge, England)  (2007) 837–839; doi:10.1039/b614048c

data_7101736
_publ_section_title
;
 Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like
 framework phase in the Na-Ge system.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              837
_journal_page_last               839
_journal_paper_doi               10.1039/b614048c
_journal_year                    2007
_chemical_formula_sum            'Ge3.25 Na'
_chemical_formula_weight         258.91
_chemical_name_common            'Na1-xGe3, neutron,4K'
_chemical_name_systematic
;
?
;
_space_group_IT_number           175
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_audit_creation_date             2006-07-17T09:46
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2006-07-17T09:46 Initial CIF as created by GSAS2CIF
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            8
_cell_length_a                   15.0052(4)
_cell_length_b                   15.0052
_cell_length_c                   3.95456(13)
_cell_volume                     771.10(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2006-07-17T09:46|NAGE3K4|QHuang|Overall
_pd_phase_name                   'Na1-xGe3, neutron,4K'
_refine_ls_goodness_of_fit_all   1.21
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.02
_refine_ls_shift/su_mean         0.00
_cod_data_source_file            b614048c.txt
_cod_data_source_block           NAGE3K4_publ_2
_cod_database_code               7101736
Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.
Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S; Chemical communications (Cambridge, England)  (2007) 837–839; doi:10.1039/b614048c

data_7101737
_publ_section_title
;
 Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like
 framework phase in the Na-Ge system.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              837
_journal_page_last               839
_journal_paper_doi               10.1039/b614048c
_journal_year                    2007
_chemical_formula_sum            'Ge3.24 Na'
_chemical_formula_weight         258.53
_chemical_name_common            'Na1-xGe3, neutron, RT'
_chemical_name_systematic        ' ?'
_space_group_IT_number           175
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            8
_cell_length_a                   15.06406(32)
_cell_length_b                   15.06406
_cell_length_c                   3.96727(13)
_cell_volume                     779.662(26)
_pd_block_id                     2006-07-17T09:52|NAGE3_phase1|QHuang||
_pd_phase_name                   'Na1-xGe3, neutron, RT'
_cod_data_source_file            b614048c.txt
_cod_data_source_block           NAGE3RT_phase_1
_cod_database_code               7101737
Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system.
Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S; Chemical communications (Cambridge, England)  (2007) 837–839; doi:10.1039/b614048c

data_7101738
_publ_section_title
;
 Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like
 framework phase in the Na-Ge system.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              837
_journal_page_last               839
_journal_paper_doi               10.1039/b614048c
_journal_year                    2007
_chemical_formula_sum            Ge
_chemical_formula_weight         72.59
_chemical_name_systematic        ' ?'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   5.6455(22)
_cell_length_b                   5.6455
_cell_length_c                   5.6455
_cell_volume                     179.93(21)
_pd_block_id                     2006-07-17T09:46|NAGE3K4_phase2|QHuang||
_pd_phase_name                   Ge
_cod_data_source_file            b614048c.txt
_cod_data_source_block           NAGE3K4_phase_2
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               7101738